D294-4953 Screening compound: 1-[2-(5-chloro-1H-indol-3-yl)ethyl]-5-oxo-N-[4-(propan-2-yl)phenyl]pyrrolidine-3-carboxamide

D294-4953 Screening compound: 1-[2-(5-chloro-1H-indol-3-yl)ethyl]-5-oxo-N-[4-(propan-2-yl)phenyl]pyrrolidine-3-carboxamide
D294-4953 Screening compound: 1-[2-(5-chloro-1H-indol-3-yl)ethyl]-5-oxo-N-[4-(propan-2-yl)phenyl]pyrrolidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D294-4953
1-[2-(5-chloro-1H-indol-3-yl)ethyl]-5-oxo-N-[4-(propan-2-yl)phenyl]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

D294-4953

Molecular Formula

C24H26ClN3O2 (C24 H26 ClN3 O2)

Compound Name

1-[2-(5-chloro-1H-indol-3-yl)ethyl]-5-oxo-N-[4-(propan-2-yl)phenyl]pyrrolidine-3-carboxamide

IUPAC name

1-[2-(5-chloro-1H-indol-3-yl)ethyl]-5-oxo-N-[4-(propan-2-yl)phenyl]pyrrolidine-3-carboxamide

SMILES

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

InChI

InChI=1S/C24H26ClN3O2/c1-15(2)16-3-6-20(7-4-16)27-24(30)18-11-23(29)28(14-18)10-9-17-13-26-22-8-5-19(25)12-21(17)22/h3-8,12-13,15,18,26H,9-11,14H2,1-2H3,(H,27,30)/t18-/m1/s1

InChI Key

FBBLKZFUOOPDOW-GOSISDBHSA-N

MDL Number (MFCD)

MFCD09270498

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

423.94

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.211

Distribution Coefficient, logD

4.211

Water Solubility, LogSw

-4.69

Polar Surface Area

50.375

Acid Dissociation Constant (pKa)

11.81

Base Dissociation Constant (pKb)

-1.24

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

D294-4953 in Drug Discovery

Included in Screening Libraries

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D294-4953 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D294-4953?
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What is the minimum amount of D294-4953 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D294-4953
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D294-4953
  • 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 D294-4953 available by request