T987-3106 Screening compound: 6-methoxy-N-(2-{[(4-methylphenyl)methyl]carbamoyl}cyclopentyl)pyridine-3-carboxamide

T987-3106 Screening compound: 6-methoxy-N-(2-{[(4-methylphenyl)methyl]carbamoyl}cyclopentyl)pyridine-3-carboxamide
T987-3106 Screening compound: 6-methoxy-N-(2-{[(4-methylphenyl)methyl]carbamoyl}cyclopentyl)pyridine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound T987-3106
6-methoxy-N-(2-{[(4-methylphenyl)methyl]carbamoyl}cyclopentyl)pyridine-3-carboxamide

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

T987-3106

Molecular Formula

C21H25N3O3 (C21 H25 N3 O3)

Compound Name

6-methoxy-N-(2-{[(4-methylphenyl)methyl]carbamoyl}cyclopentyl)pyridine-3-carboxamide

IUPAC name

6-methoxy-N-[(1R2S)-2-{[(4-methylphenyl)methyl]carbamoyl}cyclopentyl]pyridine-3-carboxamide

SMILES

Cc1ccc(CNC([C@H](CCC2)[C@H]2NC(c(cc2)cnc2OC)=O)=O)cc1

InChI

InChI=1S/C21H25N3O3/c1-14-6-8-15(9-7-14)12-23-21(26)17-4-3-5-18(17)24-20(25)16-10-11-19(27-2)22-13-16/h6-11,13,17-18H,3-5,12H2,1-2H3,(H,23,26)(H,24,25)/t17-,18+/m1/s1

InChI Key

KGLQGSATGXFIJT-MSOLQXFVSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

367.45

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

2.354

Distribution Coefficient, logD

2.354

Water Solubility, LogSw

-2.91

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

38.10

T987-3106 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)

Beyond the Flatland Library sp3 enriched (92988 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
  • 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
  • Cyclic compounds

References: we are preparing a list of scientific research reports with T987-3106 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T987-3106?
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What is the minimum amount of T987-3106 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T987-3106
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T987-3106
  • 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 T987-3106 available by request