8007-4681 Screening compound: 2-({6-[2-({[(naphthalen-2-yl)carbamoyl]methyl}sulfanyl)acetamido]-1,3-benzothiazol-2-yl}sulfanyl)-N-phenylacetamide

8007-4681 Screening compound: 2-({6-[2-({[(naphthalen-2-yl)carbamoyl]methyl}sulfanyl)acetamido]-1,3-benzothiazol-2-yl}sulfanyl)-N-phenylacetamide
8007-4681 Screening compound: 2-({6-[2-({[(naphthalen-2-yl)carbamoyl]methyl}sulfanyl)acetamido]-1,3-benzothiazol-2-yl}sulfanyl)-N-phenylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8007-4681
2-({6-[2-({[(naphthalen-2-yl)carbamoyl]methyl}sulfanyl)acetamido]-1,3-benzothiazol-2-yl}sulfanyl)-N-phenylacetamide

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

8007-4681

Molecular Formula

C29H24N4O3S3 (C29 H24 N4 O3 S3)

Compound Name

2-({6-[2-({[(naphthalen-2-yl)carbamoyl]methyl}sulfanyl)acetamido]-1,3-benzothiazol-2-yl}sulfanyl)-N-phenylacetamide

IUPAC name

2-({6-[2-({[(naphthalen-2-yl)carbamoyl]methyl}sulfanyl)acetamido]-13-benzothiazol-2-yl}sulfanyl)-N-phenylacetamide

SMILES

O=C(CSCC(Nc1cc2ccccc2cc1)=O)Nc(cc1)cc2c1nc(SCC(Nc1ccccc1)=O)s2

InChI

InChI=1S/C29H24N4O3S3/c34-26(31-22-11-10-19-6-4-5-7-20(19)14-22)16-37-17-27(35)32-23-12-13-24-25(15-23)39-29(33-24)38-18-28(36)30-21-8-2-1-3-9-21/h1-15H,16-18H2,(H,30,36)(H,31,34)(H,32,35)

InChI Key

CCMSQXMOKYBEBY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00762679

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

572.73

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.369

Distribution Coefficient, logD

6.369

Water Solubility, LogSw

-6.81

Polar Surface Area

77.953

Acid Dissociation Constant (pKa)

11.82

Base Dissociation Constant (pKb)

0.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.30

8007-4681 in Drug Discovery

Included in Screening Libraries

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

CORONAVIRUS Library (20774 compounds)

Lipid Metabolism Library (9174 compounds)

PLpro Library (6343 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cardiovascular
  • Metabolic
  • Antiviral
  • Infections
  • Immune system
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with 8007-4681 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8007-4681?
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What is the minimum amount of 8007-4681 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8007-4681
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8007-4681
  • 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 8007-4681 available by request