8008-6372 Screening compound: N-(2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)-4-butoxybenzamide

8008-6372 Screening compound: N-(2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)-4-butoxybenzamide
8008-6372 Screening compound: N-(2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)-4-butoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8008-6372
N-(2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)-4-butoxybenzamide

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

8008-6372

Molecular Formula

C26H23BrN2O3S2 (C26 H23 BrN2 O3 S2)

Compound Name

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

IUPAC name

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

SMILES

CCCCOc(cc1)ccc1C(Nc(cc1)cc2c1nc(SCC(c(cc1)ccc1Br)=O)s2)=O

InChI

InChI=1S/C26H23BrN2O3S2/c1-2-3-14-32-21-11-6-18(7-12-21)25(31)28-20-10-13-22-24(15-20)34-26(29-22)33-16-23(30)17-4-8-19(27)9-5-17/h4-13,15H,2-3,14,16H2,1H3,(H,28,31)

InChI Key

HCFJJGMAOMCSDM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00758410

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

555.52

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

7.533

Distribution Coefficient, logD

7.533

Water Solubility, LogSw

-5.52

Polar Surface Area

52.804

Acid Dissociation Constant (pKa)

10.56

Base Dissociation Constant (pKb)

-0.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.20

8008-6372 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 8008-6372 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8008-6372?
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What is the minimum amount of 8008-6372 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8008-6372
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8008-6372
  • 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 8008-6372 available by request