1988-0073 Screening compound: 3-(5-methyl-2,3-diphenyl-1H-indol-1-yl)propanenitrile

1988-0073 Screening compound: 3-(5-methyl-2,3-diphenyl-1H-indol-1-yl)propanenitrile
1988-0073 Screening compound: 3-(5-methyl-2,3-diphenyl-1H-indol-1-yl)propanenitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 1988-0073
3-(5-methyl-2,3-diphenyl-1H-indol-1-yl)propanenitrile

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

1988-0073

Molecular Formula

C24H20N2 (C24 H20 N2)

Compound Name

3-(5-methyl-2,3-diphenyl-1H-indol-1-yl)propanenitrile

IUPAC name

3-(5-methyl-23-diphenyl-1H-indol-1-yl)propanenitrile

SMILES

Cc(cc1)cc2c1n(CCC#N)c(-c1ccccc1)c2-c1ccccc1

InChI

InChI=1S/C24H20N2/c1-18-13-14-22-21(17-18)23(19-9-4-2-5-10-19)24(26(22)16-8-15-25)20-11-6-3-7-12-20/h2-7,9-14,17H,8,16H2,1H3

InChI Key

ZDVXZJRMKJSKSX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01027920

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

336.44

Hydrogen Bond Acceptors Count

1.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

5.798

Distribution Coefficient, logD

5.798

Water Solubility, LogSw

-5.80

Polar Surface Area

17.667

Acid Dissociation Constant (pKa)

20.73

Base Dissociation Constant (pKb)

-4.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

1988-0073 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with 1988-0073 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1988-0073?
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What is the minimum amount of 1988-0073 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1988-0073
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1988-0073
  • 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 1988-0073 available by request