8007-4346 Screening compound: 2-({6-[(E)-[(4-chlorophenyl)methylidene]amino]-1,3-benzothiazol-2-yl}sulfanyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide

8007-4346 Screening compound: 2-({6-[(E)-[(4-chlorophenyl)methylidene]amino]-1,3-benzothiazol-2-yl}sulfanyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
8007-4346 Screening compound: 2-({6-[(E)-[(4-chlorophenyl)methylidene]amino]-1,3-benzothiazol-2-yl}sulfanyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8007-4346
2-({6-[(E)-[(4-chlorophenyl)methylidene]amino]-1,3-benzothiazol-2-yl}sulfanyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide

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

8007-4346

Molecular Formula

C26H24ClN3O3S2 (C26 H24 ClN3 O3 S2)

Compound Name

2-({6-[(E)-[(4-chlorophenyl)methylidene]amino]-1,3-benzothiazol-2-yl}sulfanyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide

IUPAC name

2-({6-[(E)-[(4-chlorophenyl)methylidene]amino]-13-benzothiazol-2-yl}sulfanyl)-N-[2-(34-dimethoxyphenyl)ethyl]acetamide

SMILES

COc(ccc(CCNC(CSc1nc(ccc(/N=C/c(cc2)ccc2Cl)c2)c2s1)=O)c1)c1OC

InChI

InChI=1S/C26H24ClN3O3S2/c1-32-22-10-5-17(13-23(22)33-2)11-12-28-25(31)16-34-26-30-21-9-8-20(14-24(21)35-26)29-15-18-3-6-19(27)7-4-18/h3-10,13-15H,11-12,16H2,1-2H3,(H,28,31)

InChI Key

MFBMNIOKTMIWEP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01232632

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

526.08

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.824

Distribution Coefficient, logD

4.823

Water Solubility, LogSw

-5.07

Polar Surface Area

56.750

Acid Dissociation Constant (pKa)

14.69

Base Dissociation Constant (pKb)

4.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.20

8007-4346 in Drug Discovery

Included in Screening Libraries

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 8007-4346 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8007-4346?
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What is the minimum amount of 8007-4346 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8007-4346
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8007-4346
  • 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 8007-4346 available by request