8011-7515 Screening compound: 2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-N~1~-phenethylacetamide

8011-7515 Screening compound: 2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-N~1~-phenethylacetamide
8011-7515 Screening compound: 2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-N~1~-phenethylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8011-7515
2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-N~1~-phenethylacetamide

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

8011-7515

Molecular Formula

C17H15ClN2OS2 (C17 H15 ClN2 OS2)

Compound Name

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

IUPAC name

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

SMILES

O=C(CSc1nc(cc(cc2)Cl)c2s1)NCCc1ccccc1

InChI

InChI=1S/C17H15ClN2OS2/c18-13-6-7-15-14(10-13)20-17(23-15)22-11-16(21)19-9-8-12-4-2-1-3-5-12/h1-7,10H,8-9,11H2,(H,19,21)

InChI Key

YEJZUHXRYNGYAP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02208408

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

362.9

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.281

Distribution Coefficient, logD

4.281

Water Solubility, LogSw

-4.56

Polar Surface Area

33.361

Acid Dissociation Constant (pKa)

14.69

Base Dissociation Constant (pKb)

0.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.65

8011-7515 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

NOTUM (Wnt signaling) Library (3881 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8011-7515 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8011-7515?
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What is the minimum amount of 8011-7515 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8011-7515
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8011-7515
  • 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 8011-7515 available by request