8007-2241 Screening compound: 2-[(6-{[(Z)-1-(5-chloro-2-hydroxyphenyl)methylidene]amino}-1,3-benzothiazol-2-yl)sulfanyl]-N~1~-dibenzo[b,d]furan-3-ylacetamide

8007-2241 Screening compound: 2-[(6-{[(Z)-1-(5-chloro-2-hydroxyphenyl)methylidene]amino}-1,3-benzothiazol-2-yl)sulfanyl]-N~1~-dibenzo[b,d]furan-3-ylacetamide
8007-2241 Screening compound: 2-[(6-{[(Z)-1-(5-chloro-2-hydroxyphenyl)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 8007-2241
2-[(6-{[(Z)-1-(5-chloro-2-hydroxyphenyl)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

8007-2241

Molecular Formula

C28H18ClN3O3S2 (C28 H18 ClN3 O3 S2)

Compound Name

2-[(6-{[(Z)-1-(5-chloro-2-hydroxyphenyl)methylidene]amino}-1,3-benzothiazol-2-yl)sulfanyl]-N~1~-dibenzo[b,d]furan-3-ylacetamide

IUPAC name

2-({6-[(Z)-[(5-chloro-2-hydroxyphenyl)methylidene]amino]-13-benzothiazol-2-yl}sulfanyl)-N-{8-oxatricyclo[7.4.0.0^{27}]trideca-1(13)2(7)35911-hexaen-5-yl}acetamide

SMILES

Oc(cc1)c(/C=N\c(cc2)cc3c2nc(SCC(Nc(cc2)cc4c2c(cccc2)c2o4)=O)s3)cc1Cl

InChI

InChI=1S/C28H18ClN3O3S2/c29-17-5-10-23(33)16(11-17)14-30-18-7-9-22-26(13-18)37-28(32-22)36-15-27(34)31-19-6-8-21-20-3-1-2-4-24(20)35-25(21)12-19/h1-14,33H,15H2,(H,31,34)

InChI Key

YSRHQZKTSOLZAU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01113500

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

544.05

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

8.045

Distribution Coefficient, logD

7.975

Water Solubility, LogSw

-6.26

Polar Surface Area

64.788

Acid Dissociation Constant (pKa)

8.16

Base Dissociation Constant (pKb)

4.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

3.60

References: we are preparing a list of scientific research reports with 8007-2241 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 8007-2241 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8007-2241
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8007-2241
  • 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 8007-2241 available by request