D294-4970 Screening compound: 1-[2-(5-chloro-1H-indol-3-yl)ethyl]-5-oxo-N-(pentan-3-yl)pyrrolidine-3-carboxamide

D294-4970 Screening compound: 1-[2-(5-chloro-1H-indol-3-yl)ethyl]-5-oxo-N-(pentan-3-yl)pyrrolidine-3-carboxamide
D294-4970 Screening compound: 1-[2-(5-chloro-1H-indol-3-yl)ethyl]-5-oxo-N-(pentan-3-yl)pyrrolidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D294-4970
1-[2-(5-chloro-1H-indol-3-yl)ethyl]-5-oxo-N-(pentan-3-yl)pyrrolidine-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

D294-4970

Molecular Formula

C20H26ClN3O2 (C20 H26 ClN3 O2)

Compound Name

1-[2-(5-chloro-1H-indol-3-yl)ethyl]-5-oxo-N-(pentan-3-yl)pyrrolidine-3-carboxamide

IUPAC name

1-[2-(5-chloro-1H-indol-3-yl)ethyl]-5-oxo-N-(pentan-3-yl)pyrrolidine-3-carboxamide

SMILES

CCC(CC)NC(C(C1)CN(CCc2c[nH]c(cc3)c2cc3Cl)C1=O)=O

InChI

InChI=1S/C20H26ClN3O2/c1-3-16(4-2)23-20(26)14-9-19(25)24(12-14)8-7-13-11-22-18-6-5-15(21)10-17(13)18/h5-6,10-11,14,16,22H,3-4,7-9,12H2,1-2H3,(H,23,26)/t14-/m1/s1

InChI Key

QPYLHWQZQVMWFW-CQSZACIVSA-N

MDL Number (MFCD)

MFCD09271673

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

375.9

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.369

Distribution Coefficient, logD

3.369

Water Solubility, LogSw

-3.61

Polar Surface Area

51.877

Acid Dissociation Constant (pKa)

15.37

Base Dissociation Constant (pKb)

-1.19

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

D294-4970 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 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 D294-4970 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D294-4970?
Check Price and Availability of D294-4970, 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 D294-4970 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D294-4970
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D294-4970
  • 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 D294-4970 available by request