3637-0203 Screening compound: 2-[(E)-[(1-methyl-2-phenyl-1H-indol-3-yl)methylidene]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile

3637-0203 Screening compound: 2-[(E)-[(1-methyl-2-phenyl-1H-indol-3-yl)methylidene]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
3637-0203 Screening compound: 2-[(E)-[(1-methyl-2-phenyl-1H-indol-3-yl)methylidene]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 3637-0203
2-[(E)-[(1-methyl-2-phenyl-1H-indol-3-yl)methylidene]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile

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

3637-0203

Molecular Formula

C25H21N3S (C25 H21 N3 S)

Compound Name

2-[(E)-[(1-methyl-2-phenyl-1H-indol-3-yl)methylidene]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile

IUPAC name

2-[(E)-[(1-methyl-2-phenyl-1H-indol-3-yl)methylidene]amino]-4567-tetrahydro-1-benzothiophene-3-carbonitrile

SMILES

Cn1c(-c2ccccc2)c(/C=N/c(sc2c3CCCC2)c3C#N)c2c1cccc2

InChI

InChI=1S/C25H21N3S/c1-28-22-13-7-5-11-18(22)21(24(28)17-9-3-2-4-10-17)16-27-25-20(15-26)19-12-6-8-14-23(19)29-25/h2-5,7,9-11,13,16H,6,8,12,14H2,1H3

InChI Key

RDFUYBRIWNCGBU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03826597

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

395.53

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.984

Distribution Coefficient, logD

5.984

Water Solubility, LogSw

-5.99

Polar Surface Area

26.177

Acid Dissociation Constant (pKa)

26.03

Base Dissociation Constant (pKb)

1.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

3637-0203 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 3637-0203 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3637-0203?
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What is the minimum amount of 3637-0203 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3637-0203
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3637-0203
  • 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 3637-0203 available by request