V029-4496 Screening compound: 3-(5-chloro-1H-indol-3-yl)-3-(4-chlorophenyl)-N-(2-methylpropyl)propanamide

V029-4496 Screening compound: 3-(5-chloro-1H-indol-3-yl)-3-(4-chlorophenyl)-N-(2-methylpropyl)propanamide
V029-4496 Screening compound: 3-(5-chloro-1H-indol-3-yl)-3-(4-chlorophenyl)-N-(2-methylpropyl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V029-4496
3-(5-chloro-1H-indol-3-yl)-3-(4-chlorophenyl)-N-(2-methylpropyl)propanamide

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

V029-4496

Molecular Formula

C21H22Cl2N2O (C21 H22 Cl2 N2 O)

Compound Name

3-(5-chloro-1H-indol-3-yl)-3-(4-chlorophenyl)-N-(2-methylpropyl)propanamide

IUPAC name

3-(5-chloro-1H-indol-3-yl)-3-(4-chlorophenyl)-N-(2-methylpropyl)propanamide

SMILES

CC(C)CNC(CC(c1c[nH]c(cc2)c1cc2Cl)c(cc1)ccc1Cl)=O

InChI

InChI=1S/C21H22Cl2N2O/c1-13(2)11-25-21(26)10-17(14-3-5-15(22)6-4-14)19-12-24-20-8-7-16(23)9-18(19)20/h3-9,12-13,17,24H,10-11H2,1-2H3,(H,25,26)/t17-/m1/s1

InChI Key

HZJQPWBJHTTYLP-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD19776513

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

389.32

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.460

Distribution Coefficient, logD

5.460

Water Solubility, LogSw

-6.27

Polar Surface Area

34.309

Acid Dissociation Constant (pKa)

14.91

Base Dissociation Constant (pKb)

4.68

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.60

V029-4496 in Drug Discovery

Included in Screening Libraries

Indole Derivatives (10091 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with V029-4496 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V029-4496?
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What is the minimum amount of V029-4496 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V029-4496
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V029-4496
  • 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 V029-4496 available by request