8011-5208 Screening compound: 2-{[(2-{[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)amino]carbonyl}benzoic acid

8011-5208 Screening compound: 2-{[(2-{[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)amino]carbonyl}benzoic acid
8011-5208 Screening compound: 2-{[(2-{[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)amino]carbonyl}benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8011-5208
2-{[(2-{[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)amino]carbonyl}benzoic acid

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

8011-5208

Molecular Formula

C23H16FN3O4S2 (C23 H16 FN3 O4 S2)

Compound Name

2-{[(2-{[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)amino]carbonyl}benzoic acid

IUPAC name

2-{[2-({[(4-fluorophenyl)carbamoyl]methyl}sulfanyl)-13-benzothiazol-6-yl]carbamoyl}benzoic acid

SMILES

OC(c(cccc1)c1C(Nc(cc1)cc2c1nc(SCC(Nc(cc1)ccc1F)=O)s2)=O)=O

InChI

InChI=1S/C23H16FN3O4S2/c24-13-5-7-14(8-6-13)25-20(28)12-32-23-27-18-10-9-15(11-19(18)33-23)26-21(29)16-3-1-2-4-17(16)22(30)31/h1-11H,12H2,(H,25,28)(H,26,29)(H,30,31)

InChI Key

HNZVXWIBGDZVPN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01908448

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

481.53

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.423

Distribution Coefficient, logD

-0.020

Water Solubility, LogSw

-4.27

Polar Surface Area

83.697

Acid Dissociation Constant (pKa)

2.96

Base Dissociation Constant (pKb)

0.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.35

8011-5208 in Drug Discovery

Included in Screening Libraries

Regenerative Medicine Focused Library (23016 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 8011-5208 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8011-5208?
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What is the minimum amount of 8011-5208 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8011-5208
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8011-5208
  • 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 8011-5208 available by request