8013-4528 Screening compound: 2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-N~1~-cyclohexylacetamide

8013-4528 Screening compound: 2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-N~1~-cyclohexylacetamide
8013-4528 Screening compound: 2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-N~1~-cyclohexylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-4528
2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-N~1~-cyclohexylacetamide

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

8013-4528

Molecular Formula

C15H17ClN2OS2 (C15 H17 ClN2 OS2)

Compound Name

2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-N~1~-cyclohexylacetamide

IUPAC name

2-[(5-chloro-13-benzothiazol-2-yl)sulfanyl]-N-cyclohexylacetamide

SMILES

O=C(CSc1nc(cc(cc2)Cl)c2s1)NC1CCCCC1

InChI

InChI=1S/C15H17ClN2OS2/c16-10-6-7-13-12(8-10)18-15(21-13)20-9-14(19)17-11-4-2-1-3-5-11/h6-8,11H,1-5,9H2,(H,17,19)

InChI Key

VJKFGXIRNIFJEJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02321442

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

340.9

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.721

Distribution Coefficient, logD

4.721

Water Solubility, LogSw

-4.87

Polar Surface Area

33.245

Acid Dissociation Constant (pKa)

15.79

Base Dissociation Constant (pKb)

1.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

46.67

References: we are preparing a list of scientific research reports with 8013-4528 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-4528?
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What is the minimum amount of 8013-4528 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-4528
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-4528
  • 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 8013-4528 available by request