T987-2758 Screening compound: N-(2-{[(3-ethoxyphenyl)methyl]carbamoyl}cyclopentyl)-4-methoxybenzamide

T987-2758 Screening compound: N-(2-{[(3-ethoxyphenyl)methyl]carbamoyl}cyclopentyl)-4-methoxybenzamide
T987-2758 Screening compound: N-(2-{[(3-ethoxyphenyl)methyl]carbamoyl}cyclopentyl)-4-methoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound T987-2758
N-(2-{[(3-ethoxyphenyl)methyl]carbamoyl}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

T987-2758

Molecular Formula

C23H28N2O4 (C23 H28 N2 O4)

Compound Name

N-(2-{[(3-ethoxyphenyl)methyl]carbamoyl}cyclopentyl)-4-methoxybenzamide

IUPAC name

N-[(1R2S)-2-{[(3-ethoxyphenyl)methyl]carbamoyl}cyclopentyl]-4-methoxybenzamide

SMILES

CCOc1cccc(CNC([C@H](CCC2)[C@H]2NC(c(cc2)ccc2OC)=O)=O)c1

InChI

InChI=1S/C23H28N2O4/c1-3-29-19-7-4-6-16(14-19)15-24-23(27)20-8-5-9-21(20)25-22(26)17-10-12-18(28-2)13-11-17/h4,6-7,10-14,20-21H,3,5,8-9,15H2,1-2H3,(H,24,27)(H,25,26)/t20-,21+/m1/s1

InChI Key

RZFYVRKLZGAAAX-RTWAWAEBSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

396.49

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.830

Distribution Coefficient, logD

2.830

Water Solubility, LogSw

-3.23

Polar Surface Area

64.214

Acid Dissociation Constant (pKa)

12.80

Base Dissociation Constant (pKb)

-0.37

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

39.10

T987-2758 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)

PPI Inhibitors Tripeptide Mimetics (23972 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
  • PPI modulators
  • Epigenetic
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • Epigenetic
Targets:
  • Ion Channels
  • Others
Structure:
  • Mimetics
  • Mimetics
  • Cyclic compounds

References: we are preparing a list of scientific research reports with T987-2758 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T987-2758?
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What is the minimum amount of T987-2758 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T987-2758
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T987-2758
  • 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 T987-2758 available by request