8008-2349 Screening compound: 2-({6-[(E)-[(anthracen-9-yl)methylidene]amino]-1,3-benzothiazol-2-yl}sulfanyl)-N-cyclohexylacetamide

8008-2349 Screening compound: 2-({6-[(E)-[(anthracen-9-yl)methylidene]amino]-1,3-benzothiazol-2-yl}sulfanyl)-N-cyclohexylacetamide
8008-2349 Screening compound: 2-({6-[(E)-[(anthracen-9-yl)methylidene]amino]-1,3-benzothiazol-2-yl}sulfanyl)-N-cyclohexylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8008-2349
2-({6-[(E)-[(anthracen-9-yl)methylidene]amino]-1,3-benzothiazol-2-yl}sulfanyl)-N-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

8008-2349

Molecular Formula

C30H27N3OS2 (C30 H27 N3 OS2)

Compound Name

2-({6-[(E)-[(anthracen-9-yl)methylidene]amino]-1,3-benzothiazol-2-yl}sulfanyl)-N-cyclohexylacetamide

IUPAC name

2-({6-[(E)-[(anthracen-9-yl)methylidene]amino]-13-benzothiazol-2-yl}sulfanyl)-N-cyclohexylacetamide

SMILES

O=C(CSc1nc(ccc(/N=C/c2c(cccc3)c3cc3ccccc23)c2)c2s1)NC1CCCCC1

InChI

InChI=1S/C30H27N3OS2/c34-29(32-22-10-2-1-3-11-22)19-35-30-33-27-15-14-23(17-28(27)36-30)31-18-26-24-12-6-4-8-20(24)16-21-9-5-7-13-25(21)26/h4-9,12-18,22H,1-3,10-11,19H2,(H,32,34)

InChI Key

OLLAMURAHOVAEJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01303975

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

509.7

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

7.678

Distribution Coefficient, logD

7.677

Water Solubility, LogSw

-7.10

Polar Surface Area

40.829

Acid Dissociation Constant (pKa)

15.79

Base Dissociation Constant (pKb)

4.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.30

8008-2349 in Drug Discovery

Included in Screening Libraries

ACE2 Library (3043 compounds)

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

CORONAVIRUS Library (20774 compounds)

Lipid Metabolism Library (9174 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Cardiovascular
  • Metabolic

References: we are preparing a list of scientific research reports with 8008-2349 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8008-2349?
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What is the minimum amount of 8008-2349 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8008-2349
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8008-2349
  • 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 8008-2349 available by request