8008-6366 Screening compound: 2-bromo-N-(2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)benzamide

8008-6366 Screening compound: 2-bromo-N-(2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)benzamide
8008-6366 Screening compound: 2-bromo-N-(2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8008-6366
2-bromo-N-(2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)benzamide

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

8008-6366

Molecular Formula

C22H14Br2N2O2S2 (C22 H14 Br2 N2 O2 S2)

Compound Name

2-bromo-N-(2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)benzamide

IUPAC name

2-bromo-N-(2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-13-benzothiazol-6-yl)benzamide

SMILES

O=C(CSc1nc(ccc(NC(c(cccc2)c2Br)=O)c2)c2s1)c(cc1)ccc1Br

InChI

InChI=1S/C22H14Br2N2O2S2/c23-14-7-5-13(6-8-14)19(27)12-29-22-26-18-10-9-15(11-20(18)30-22)25-21(28)16-3-1-2-4-17(16)24/h1-11H,12H2,(H,25,28)

InChI Key

PHCNZGYMBGLWIU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00758409

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

562.31

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.410

Distribution Coefficient, logD

6.405

Water Solubility, LogSw

-6.08

Polar Surface Area

45.386

Acid Dissociation Constant (pKa)

9.32

Base Dissociation Constant (pKb)

-0.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.50

References: we are preparing a list of scientific research reports with 8008-6366 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8008-6366?
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What is the minimum amount of 8008-6366 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8008-6366
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8008-6366
  • 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 8008-6366 available by request