8007-8136 Screening compound: 2,4-dichloro-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-(piperidinosulfonyl)benzamide

8007-8136 Screening compound: 2,4-dichloro-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-(piperidinosulfonyl)benzamide
8007-8136 Screening compound: 2,4-dichloro-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-(piperidinosulfonyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8007-8136
2,4-dichloro-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-(piperidinosulfonyl)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

8007-8136

Molecular Formula

C21H21Cl2N3O3S2 (C21 H21 Cl2 N3 O3 S2)

Compound Name

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

IUPAC name

24-dichloro-N-(3-cyano-4567-tetrahydro-1-benzothiophen-2-yl)-5-(piperidine-1-sulfonyl)benzamide

SMILES

N#Cc1c(NC(c(c(Cl)c2)cc(S(N3CCCCC3)(=O)=O)c2Cl)=O)sc2c1CCCC2

InChI

InChI=1S/C21H21Cl2N3O3S2/c22-16-11-17(23)19(31(28,29)26-8-4-1-5-9-26)10-14(16)20(27)25-21-15(12-24)13-6-2-3-7-18(13)30-21/h10-11H,1-9H2,(H,25,27)

InChI Key

ZNFMGMCELMZSQQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01197492

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

498.45

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.937

Distribution Coefficient, logD

-0.205

Water Solubility, LogSw

-5.17

Polar Surface Area

71.812

Acid Dissociation Constant (pKa)

2.26

Base Dissociation Constant (pKb)

-5.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.86

8007-8136 in Drug Discovery

Included in Screening Libraries

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with 8007-8136 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8007-8136?
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What is the minimum amount of 8007-8136 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8007-8136
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8007-8136
  • 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 8007-8136 available by request