8007-4344 Screening compound: N-(4-acetylphenyl)-2-({6-[(E)-[(3,5-dibromo-2-hydroxyphenyl)methylidene]amino]-1,3-benzothiazol-2-yl}sulfanyl)acetamide

8007-4344 Screening compound: N-(4-acetylphenyl)-2-({6-[(E)-[(3,5-dibromo-2-hydroxyphenyl)methylidene]amino]-1,3-benzothiazol-2-yl}sulfanyl)acetamide
8007-4344 Screening compound: N-(4-acetylphenyl)-2-({6-[(E)-[(3,5-dibromo-2-hydroxyphenyl)methylidene]amino]-1,3-benzothiazol-2-yl}sulfanyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8007-4344
N-(4-acetylphenyl)-2-({6-[(E)-[(3,5-dibromo-2-hydroxyphenyl)methylidene]amino]-1,3-benzothiazol-2-yl}sulfanyl)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

8007-4344

Molecular Formula

C24H17Br2N3O3S2 (C24 H17 Br2 N3 O3 S2)

Compound Name

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

IUPAC name

N-(4-acetylphenyl)-2-({6-[(E)-[(35-dibromo-2-hydroxyphenyl)methylidene]amino]-13-benzothiazol-2-yl}sulfanyl)acetamide

SMILES

CC(c(cc1)ccc1NC(CSc1nc(ccc(/N=C/c2cc(Br)cc(Br)c2O)c2)c2s1)=O)=O

InChI

InChI=1S/C24H17Br2N3O3S2/c1-13(30)14-2-4-17(5-3-14)28-22(31)12-33-24-29-20-7-6-18(10-21(20)34-24)27-11-15-8-16(25)9-19(26)23(15)32/h2-11,32H,12H2,1H3,(H,28,31)

InChI Key

ICGLCNFMBTVTTB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01230602

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

619.36

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.339

Distribution Coefficient, logD

5.772

Water Solubility, LogSw

-5.29

Polar Surface Area

69.631

Acid Dissociation Constant (pKa)

6.97

Base Dissociation Constant (pKb)

3.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.30

References: we are preparing a list of scientific research reports with 8007-4344 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 8007-4344
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8007-4344
  • 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 8007-4344 available by request