T987-2550 Screening compound: N~3~-((1R,2S)-2-{[(3,4-dimethylbenzyl)amino]carbonyl}cyclopentyl)-6-methoxynicotinamide

T987-2550 Screening compound: N~3~-((1R,2S)-2-{[(3,4-dimethylbenzyl)amino]carbonyl}cyclopentyl)-6-methoxynicotinamide
T987-2550 Screening compound: N~3~-((1R,2S)-2-{[(3,4-dimethylbenzyl)amino]carbonyl}cyclopentyl)-6-methoxynicotinamide alternative view

Chemical Structure Depiction of ChemDiv screening compound T987-2550
N~3~-((1R,2S)-2-{[(3,4-dimethylbenzyl)amino]carbonyl}cyclopentyl)-6-methoxynicotinamide

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

T987-2550

Molecular Formula

C22H27N3O3 (C22 H27 N3 O3)

Compound Name

N~3~-((1R,2S)-2-{[(3,4-dimethylbenzyl)amino]carbonyl}cyclopentyl)-6-methoxynicotinamide

IUPAC name

N-[(1R2S)-2-{[(34-dimethylphenyl)methyl]carbamoyl}cyclopentyl]-6-methoxypyridine-3-carboxamide

SMILES

Cc1c(C)cc(CNC([C@H](CCC2)[C@H]2NC(c(cc2)cnc2OC)=O)=O)cc1

InChI

InChI=1S/C22H27N3O3/c1-14-7-8-16(11-15(14)2)12-24-22(27)18-5-4-6-19(18)25-21(26)17-9-10-20(28-3)23-13-17/h7-11,13,18-19H,4-6,12H2,1-3H3,(H,24,27)(H,25,26)/t18-,19+/m1/s1

InChI Key

WMXZJWIDVQCPCR-MOPGFXCFSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

381.47

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.950

Distribution Coefficient, logD

2.950

Water Solubility, LogSw

-3.21

Polar Surface Area

66.128

Acid Dissociation Constant (pKa)

12.29

Base Dissociation Constant (pKb)

0.10

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

40.91

T987-2550 in Drug Discovery

Included in Screening Libraries

Bcl2-PPI Inhibitors Library (12246 compounds)

Ligand-Gated Ion Channels Library (3887 compounds)

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Protein-Protein Interaction Library (218420 compounds)

Antibacterial Compounds Library (13827 compounds)

Inhibitors of beta-Catenin Signaling (7445 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

MEF2-HDAC (class II) Modulators Library (5147 compounds)

SH2 PTB Focused Library (6188 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Hemic and lymphatic
  • Nervous system
  • Eye
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Infections
  • Immune system
  • animal
  • Cancer
  • Cancer
  • Musculoskeletal
  • Female
  • Hemic and lymphatic
  • Cardiovascular
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • Epigenetic
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • Epigenetic
Targets:
  • Ion Channels
  • Others
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with T987-2550 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T987-2550?
Check Price and Availability of T987-2550, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of T987-2550 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T987-2550
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T987-2550
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of T987-2550 available by request