D294-4949 Screening compound: N-(4-carbamoylphenyl)-1-[2-(5-chloro-1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide

D294-4949 Screening compound: N-(4-carbamoylphenyl)-1-[2-(5-chloro-1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
D294-4949 Screening compound: N-(4-carbamoylphenyl)-1-[2-(5-chloro-1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D294-4949
N-(4-carbamoylphenyl)-1-[2-(5-chloro-1H-indol-3-yl)ethyl]-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

D294-4949

Molecular Formula

C22H21ClN4O3 (C22 H21 ClN4 O3)

Compound Name

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

IUPAC name

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

SMILES

NC(c(cc1)ccc1NC(C(C1)CN(CCc2c[nH]c(cc3)c2cc3Cl)C1=O)=O)=O

InChI

InChI=1S/C22H21ClN4O3/c23-16-3-6-19-18(10-16)14(11-25-19)7-8-27-12-15(9-20(27)28)22(30)26-17-4-1-13(2-5-17)21(24)29/h1-6,10-11,15,25H,7-9,12H2,(H2,24,29)(H,26,30)/t15-/m1/s1

InChI Key

AXXIPKIGLOABCM-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD09271669

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

424.89

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.518

Distribution Coefficient, logD

1.516

Water Solubility, LogSw

-2.76

Polar Surface Area

84.433

Acid Dissociation Constant (pKa)

9.74

Base Dissociation Constant (pKb)

-1.24

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

22.70

D294-4949 in Drug Discovery

Included in Screening Libraries

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

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with D294-4949 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D294-4949?
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What is the minimum amount of D294-4949 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D294-4949
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D294-4949
  • 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 D294-4949 available by request