2187-1631 Screening compound: 4-cyano-N-(3-cyano-5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)benzamide

2187-1631 Screening compound: 4-cyano-N-(3-cyano-5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)benzamide
2187-1631 Screening compound: 4-cyano-N-(3-cyano-5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2187-1631
4-cyano-N-(3-cyano-5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)benzamide

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

2187-1631

Molecular Formula

C18H15N3OS (C18 H15 N3 OS)

Compound Name

4-cyano-N-(3-cyano-5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)benzamide

IUPAC name

4-cyano-N-(3-cyano-5-methyl-4567-tetrahydro-1-benzothiophen-2-yl)benzamide

SMILES

CC(CC1)Cc2c1sc(NC(c(cc1)ccc1C#N)=O)c2C#N

InChI

InChI=1S/C18H15N3OS/c1-11-2-7-16-14(8-11)15(10-20)18(23-16)21-17(22)13-5-3-12(9-19)4-6-13/h3-6,11H,2,7-8H2,1H3,(H,21,22)/t11-/m1/s1

InChI Key

JWXVHQBSWSELNM-LLVKDONJSA-N

MDL Number (MFCD)

MFCD01931409

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

321.4

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.815

Distribution Coefficient, logD

0.605

Water Solubility, LogSw

-4.32

Polar Surface Area

57.157

Acid Dissociation Constant (pKa)

4.19

Base Dissociation Constant (pKb)

-6.87

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.80

2187-1631 in Drug Discovery

Included in Screening Libraries

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 2187-1631 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2187-1631?
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What is the minimum amount of 2187-1631 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2187-1631
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2187-1631
  • 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 2187-1631 available by request