D294-5014 Screening compound: 1-[2-(5-chloro-1H-indol-3-yl)ethyl]-N-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-carboxamide

D294-5014 Screening compound: 1-[2-(5-chloro-1H-indol-3-yl)ethyl]-N-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
D294-5014 Screening compound: 1-[2-(5-chloro-1H-indol-3-yl)ethyl]-N-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D294-5014
1-[2-(5-chloro-1H-indol-3-yl)ethyl]-N-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)-5-oxopyrrolidine-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

D294-5014

Molecular Formula

C26H25ClN4O2S (C26 H25 ClN4 O2 S)

Compound Name

1-[2-(5-chloro-1H-indol-3-yl)ethyl]-N-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-carboxamide

IUPAC name

1-[2-(5-chloro-1H-indol-3-yl)ethyl]-N-(5-ethyl-4-phenyl-13-thiazol-2-yl)-5-oxopyrrolidine-3-carboxamide

SMILES

CCc1c(-c2ccccc2)nc(NC(C(C2)CN(CCc3c[nH]c(cc4)c3cc4Cl)C2=O)=O)s1

InChI

InChI=1S/C26H25ClN4O2S/c1-2-22-24(16-6-4-3-5-7-16)29-26(34-22)30-25(33)18-12-23(32)31(15-18)11-10-17-14-28-21-9-8-19(27)13-20(17)21/h3-9,13-14,18,28H,2,10-12,15H2,1H3,(H,29,30,33)/t18-/m1/s1

InChI Key

HQUAITVURNZHGC-GOSISDBHSA-N

MDL Number (MFCD)

MFCD09271677

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

493.03

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.869

Distribution Coefficient, logD

4.868

Water Solubility, LogSw

-4.82

Polar Surface Area

60.920

Acid Dissociation Constant (pKa)

9.91

Base Dissociation Constant (pKb)

0.89

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.90

D294-5014 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

CNS Targets (44014 compounds)

GPCR Targeted Library (31838 compounds)

MCL1 Targeted Library (12200 compounds)

SmartTM Library (51161 compounds)

Epigenetics Focused Set (26518 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • GPCR
  • Phosphatases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with D294-5014 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D294-5014?
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What is the minimum amount of D294-5014 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D294-5014
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D294-5014
  • 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 D294-5014 available by request