T987-2251 Screening compound: N~1~-{(1R,2S)-2-[(4-benzylpiperidino)carbonyl]cyclopentyl}-4-methoxybenzamide

T987-2251 Screening compound: N~1~-{(1R,2S)-2-[(4-benzylpiperidino)carbonyl]cyclopentyl}-4-methoxybenzamide
T987-2251 Screening compound: N~1~-{(1R,2S)-2-[(4-benzylpiperidino)carbonyl]cyclopentyl}-4-methoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound T987-2251
N~1~-{(1R,2S)-2-[(4-benzylpiperidino)carbonyl]cyclopentyl}-4-methoxybenzamide

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

T987-2251

Molecular Formula

C26H32N2O3 (C26 H32 N2 O3)

Compound Name

N~1~-{(1R,2S)-2-[(4-benzylpiperidino)carbonyl]cyclopentyl}-4-methoxybenzamide

IUPAC name

N-[(1R2S)-2-(4-benzylpiperidine-1-carbonyl)cyclopentyl]-4-methoxybenzamide

SMILES

COc(cc1)ccc1C(N[C@@H](CCC1)[C@@H]1C(N1CCC(Cc2ccccc2)CC1)=O)=O

InChI

InChI=1S/C26H32N2O3/c1-31-22-12-10-21(11-13-22)25(29)27-24-9-5-8-23(24)26(30)28-16-14-20(15-17-28)18-19-6-3-2-4-7-19/h2-4,6-7,10-13,20,23-24H,5,8-9,14-18H2,1H3,(H,27,29)/t23-,24+/m1/s1

InChI Key

VDJPGNGDFZLMKU-RPWUZVMVSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

420.55

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.173

Distribution Coefficient, logD

4.173

Water Solubility, LogSw

-4.22

Polar Surface Area

49.054

Acid Dissociation Constant (pKa)

15.07

Base Dissociation Constant (pKb)

0.21

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

46.15

T987-2251 in Drug Discovery

Included in Screening Libraries

Bcl2-PPI Inhibitors Library (12246 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

GPCR Targeted Library (31838 compounds)

PPI Helix Turn 3D-Mimetics Library (71298 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
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Cancer
  • Cancer
  • Musculoskeletal
  • Female
  • Hemic and lymphatic
  • Cardiovascular
Mechanism of action:
  • PPI modulators
  • Receptor's ligands
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • Epigenetic
Targets:
  • GPCR
Structure:
  • Mimetics
  • Cyclic compounds

References: we are preparing a list of scientific research reports with T987-2251 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T987-2251?
Check Price and Availability of T987-2251, 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 T987-2251 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T987-2251
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T987-2251
  • 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 T987-2251 available by request