8009-3592 Screening compound: N-(2-{[(cyclohexylcarbamoyl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)-2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]acetamide

8009-3592 Screening compound: N-(2-{[(cyclohexylcarbamoyl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)-2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]acetamide
8009-3592 Screening compound: N-(2-{[(cyclohexylcarbamoyl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)-2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8009-3592
N-(2-{[(cyclohexylcarbamoyl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)-2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]acetamide

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

8009-3592

Molecular Formula

C26H28N4O3S4 (C26 H28 N4 O3 S4)

Compound Name

N-(2-{[(cyclohexylcarbamoyl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)-2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]acetamide

IUPAC name

N-(2-{[(cyclohexylcarbamoyl)methyl]sulfanyl}-13-benzothiazol-6-yl)-2-[(6-ethoxy-13-benzothiazol-2-yl)sulfanyl]acetamide

SMILES

CCOc(cc1)cc2c1nc(SCC(Nc(cc1)cc3c1nc(SCC(NC1CCCCC1)=O)s3)=O)s2

InChI

InChI=1S/C26H28N4O3S4/c1-2-33-18-9-11-20-22(13-18)37-26(30-20)35-15-24(32)28-17-8-10-19-21(12-17)36-25(29-19)34-14-23(31)27-16-6-4-3-5-7-16/h8-13,16H,2-7,14-15H2,1H3,(H,27,31)(H,28,32)

InChI Key

LFXAWTGWPQOZGK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01199476

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

572.8

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.658

Distribution Coefficient, logD

6.658

Water Solubility, LogSw

-5.50

Polar Surface Area

72.328

Acid Dissociation Constant (pKa)

11.87

Base Dissociation Constant (pKb)

1.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.50

8009-3592 in Drug Discovery

Included in Screening Libraries

Lipid Metabolism Library (9174 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Metabolic

References: we are preparing a list of scientific research reports with 8009-3592 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8009-3592?
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What is the minimum amount of 8009-3592 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8009-3592
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8009-3592
  • 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 8009-3592 available by request