V009-4531 Screening compound: 3-(3,4-dimethoxyphenyl)-3-(1-methyl-1H-indol-3-yl)-N-(4-phenylbutan-2-yl)propanamide

V009-4531 Screening compound: 3-(3,4-dimethoxyphenyl)-3-(1-methyl-1H-indol-3-yl)-N-(4-phenylbutan-2-yl)propanamide
V009-4531 Screening compound: 3-(3,4-dimethoxyphenyl)-3-(1-methyl-1H-indol-3-yl)-N-(4-phenylbutan-2-yl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V009-4531
3-(3,4-dimethoxyphenyl)-3-(1-methyl-1H-indol-3-yl)-N-(4-phenylbutan-2-yl)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

V009-4531

Molecular Formula

C30H34N2O3 (C30 H34 N2 O3)

Compound Name

3-(3,4-dimethoxyphenyl)-3-(1-methyl-1H-indol-3-yl)-N-(4-phenylbutan-2-yl)propanamide

IUPAC name

3-(34-dimethoxyphenyl)-3-(1-methyl-1H-indol-3-yl)-N-(4-phenylbutan-2-yl)propanamide

SMILES

CC(CCc1ccccc1)NC(CC(c1cn(C)c2c1cccc2)c(cc1)cc(OC)c1OC)=O

InChI

InChI=1S/C30H34N2O3/c1-21(14-15-22-10-6-5-7-11-22)31-30(33)19-25(23-16-17-28(34-3)29(18-23)35-4)26-20-32(2)27-13-9-8-12-24(26)27/h5-13,16-18,20-21,25H,14-15,19H2,1-4H3,(H,31,33)

InChI Key

VCVYQWSYTYEPIN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19852138

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

470.61

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.548

Distribution Coefficient, logD

5.548

Water Solubility, LogSw

-5.64

Polar Surface Area

41.429

Acid Dissociation Constant (pKa)

13.95

Base Dissociation Constant (pKb)

-0.03

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

30.00

V009-4531 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 V009-4531 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V009-4531?
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What is the minimum amount of V009-4531 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V009-4531
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V009-4531
  • 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 V009-4531 available by request