0945-0267 Screening compound: 2,4-dichloro-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)benzamide

0945-0267 Screening compound: 2,4-dichloro-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)benzamide
0945-0267 Screening compound: 2,4-dichloro-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 0945-0267
2,4-dichloro-N-(3-cyano-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

0945-0267

Molecular Formula

C16H12Cl2N2OS (C16 H12 Cl2 N2 OS)

Compound Name

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

IUPAC name

24-dichloro-N-(3-cyano-4567-tetrahydro-1-benzothiophen-2-yl)benzamide

SMILES

N#Cc1c(NC(c(ccc(Cl)c2)c2Cl)=O)sc2c1CCCC2

InChI

InChI=1S/C16H12Cl2N2OS/c17-9-5-6-11(13(18)7-9)15(21)20-16-12(8-19)10-3-1-2-4-14(10)22-16/h5-7H,1-4H2,(H,20,21)

InChI Key

YMQBYAWVVARBBM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00266135

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

351.26

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.853

Distribution Coefficient, logD

0.369

Water Solubility, LogSw

-5.19

Polar Surface Area

40.101

Acid Dissociation Constant (pKa)

2.92

Base Dissociation Constant (pKb)

-6.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

0945-0267 in Drug Discovery

Included in Screening Libraries

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 0945-0267 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0945-0267?
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What is the minimum amount of 0945-0267 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0945-0267
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0945-0267
  • 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 0945-0267 available by request