8007-2228 Screening compound: 2-({6-[(E)-[(3,5-dichloro-2-hydroxyphenyl)methylidene]amino]-1,3-benzothiazol-2-yl}sulfanyl)-N-(2,4-dimethylphenyl)acetamide

8007-2228 Screening compound: 2-({6-[(E)-[(3,5-dichloro-2-hydroxyphenyl)methylidene]amino]-1,3-benzothiazol-2-yl}sulfanyl)-N-(2,4-dimethylphenyl)acetamide
8007-2228 Screening compound: 2-({6-[(E)-[(3,5-dichloro-2-hydroxyphenyl)methylidene]amino]-1,3-benzothiazol-2-yl}sulfanyl)-N-(2,4-dimethylphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8007-2228
2-({6-[(E)-[(3,5-dichloro-2-hydroxyphenyl)methylidene]amino]-1,3-benzothiazol-2-yl}sulfanyl)-N-(2,4-dimethylphenyl)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

8007-2228

Molecular Formula

C24H19Cl2N3O2S2 (C24 H19 Cl2 N3 O2 S2)

Compound Name

2-({6-[(E)-[(3,5-dichloro-2-hydroxyphenyl)methylidene]amino]-1,3-benzothiazol-2-yl}sulfanyl)-N-(2,4-dimethylphenyl)acetamide

IUPAC name

2-({6-[(E)-[(35-dichloro-2-hydroxyphenyl)methylidene]amino]-13-benzothiazol-2-yl}sulfanyl)-N-(24-dimethylphenyl)acetamide

SMILES

Cc(cc1)cc(C)c1NC(CSc1nc(ccc(/N=C/c2cc(Cl)cc(Cl)c2O)c2)c2s1)=O

InChI

InChI=1S/C24H19Cl2N3O2S2/c1-13-3-5-19(14(2)7-13)28-22(30)12-32-24-29-20-6-4-17(10-21(20)33-24)27-11-15-8-16(25)9-18(26)23(15)31/h3-11,31H,12H2,1-2H3,(H,28,30)

InChI Key

QVMAELGSQYKXOY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01113498

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

516.47

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

7.107

Distribution Coefficient, logD

6.527

Water Solubility, LogSw

-5.85

Polar Surface Area

55.106

Acid Dissociation Constant (pKa)

6.95

Base Dissociation Constant (pKb)

3.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

References: we are preparing a list of scientific research reports with 8007-2228 chemical compound. It will be published here after verification.

Frequently Asked Questions

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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8007-2228
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8007-2228
  • 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 8007-2228 available by request