8007-7516 Screening compound: 2-[(6-{[(E)-1-(9-anthryl)methylidene]amino}-1,3-benzothiazol-2-yl)sulfanyl]-N~1~-dibenzo[b,d]furan-3-ylacetamide

8007-7516 Screening compound: 2-[(6-{[(E)-1-(9-anthryl)methylidene]amino}-1,3-benzothiazol-2-yl)sulfanyl]-N~1~-dibenzo[b,d]furan-3-ylacetamide
8007-7516 Screening compound: 2-[(6-{[(E)-1-(9-anthryl)methylidene]amino}-1,3-benzothiazol-2-yl)sulfanyl]-N~1~-dibenzo[b,d]furan-3-ylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8007-7516
2-[(6-{[(E)-1-(9-anthryl)methylidene]amino}-1,3-benzothiazol-2-yl)sulfanyl]-N~1~-dibenzo[b,d]furan-3-ylacetamide

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

8007-7516

Molecular Formula

C36H23N3O2S2 (C36 H23 N3 O2 S2)

Compound Name

2-[(6-{[(E)-1-(9-anthryl)methylidene]amino}-1,3-benzothiazol-2-yl)sulfanyl]-N~1~-dibenzo[b,d]furan-3-ylacetamide

IUPAC name

2-({6-[(E)-[(anthracen-9-yl)methylidene]amino]-13-benzothiazol-2-yl}sulfanyl)-N-{8-oxatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)351012-hexaen-5-yl}acetamide

SMILES

O=C(CSc1nc(ccc(/N=C/c2c(cccc3)c3cc3ccccc23)c2)c2s1)Nc(cc1)cc2c1c(cccc1)c1o2

InChI

InChI=1S/C36H23N3O2S2/c40-35(38-25-13-15-29-28-11-5-6-12-32(28)41-33(29)18-25)21-42-36-39-31-16-14-24(19-34(31)43-36)37-20-30-26-9-3-1-7-22(26)17-23-8-2-4-10-27(23)30/h1-20H,21H2,(H,38,40)

InChI Key

DDHYSZWCWMZPLL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01205227

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

593.73

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

9.917

Distribution Coefficient, logD

9.917

Water Solubility, LogSw

-7.29

Polar Surface Area

47.697

Acid Dissociation Constant (pKa)

13.00

Base Dissociation Constant (pKb)

4.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

2.80

8007-7516 in Drug Discovery

Included in Screening Libraries

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

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with 8007-7516 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8007-7516?
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What is the minimum amount of 8007-7516 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8007-7516
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8007-7516
  • 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 8007-7516 available by request