8008-5818 Screening compound: N-(2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)acetamide

8008-5818 Screening compound: N-(2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)acetamide
8008-5818 Screening compound: N-(2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8008-5818
N-(2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)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

8008-5818

Molecular Formula

C17H13BrN2O2S2 (C17 H13 BrN2 O2 S2)

Compound Name

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

IUPAC name

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

SMILES

CC(Nc(cc1)cc2c1nc(SCC(c(cc1)ccc1Br)=O)s2)=O

InChI

InChI=1S/C17H13BrN2O2S2/c1-10(21)19-13-6-7-14-16(8-13)24-17(20-14)23-9-15(22)11-2-4-12(18)5-3-11/h2-8H,9H2,1H3,(H,19,21)

InChI Key

UYCZHBLVHUBVTK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00758417

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

421.34

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.471

Distribution Coefficient, logD

4.471

Water Solubility, LogSw

-4.32

Polar Surface Area

45.557

Acid Dissociation Constant (pKa)

12.02

Base Dissociation Constant (pKb)

-0.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.80

References: we are preparing a list of scientific research reports with 8008-5818 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8008-5818?
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What is the minimum amount of 8008-5818 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8008-5818
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8008-5818
  • 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 8008-5818 available by request