8009-2602 Screening compound: N-[2-({[(2-fluorophenyl)carbamoyl]methyl}sulfanyl)-1,3-benzothiazol-6-yl]cyclohexanecarboxamide

8009-2602 Screening compound: N-[2-({[(2-fluorophenyl)carbamoyl]methyl}sulfanyl)-1,3-benzothiazol-6-yl]cyclohexanecarboxamide
8009-2602 Screening compound: N-[2-({[(2-fluorophenyl)carbamoyl]methyl}sulfanyl)-1,3-benzothiazol-6-yl]cyclohexanecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8009-2602
N-[2-({[(2-fluorophenyl)carbamoyl]methyl}sulfanyl)-1,3-benzothiazol-6-yl]cyclohexanecarboxamide

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

8009-2602

Molecular Formula

C22H22FN3O2S2 (C22 H22 FN3 O2 S2)

Compound Name

N-[2-({[(2-fluorophenyl)carbamoyl]methyl}sulfanyl)-1,3-benzothiazol-6-yl]cyclohexanecarboxamide

IUPAC name

N-[2-({[(2-fluorophenyl)carbamoyl]methyl}sulfanyl)-13-benzothiazol-6-yl]cyclohexanecarboxamide

SMILES

O=C(CSc1nc(ccc(NC(C2CCCCC2)=O)c2)c2s1)Nc(cccc1)c1F

InChI

InChI=1S/C22H22FN3O2S2/c23-16-8-4-5-9-17(16)25-20(27)13-29-22-26-18-11-10-15(12-19(18)30-22)24-21(28)14-6-2-1-3-7-14/h4-5,8-12,14H,1-3,6-7,13H2,(H,24,28)(H,25,27)

InChI Key

MZORCZKHYOXXRE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01205207

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.57

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.023

Distribution Coefficient, logD

5.023

Water Solubility, LogSw

-4.80

Polar Surface Area

54.783

Acid Dissociation Constant (pKa)

10.94

Base Dissociation Constant (pKb)

-0.47

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.80

8009-2602 in Drug Discovery

Included in Screening Libraries

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 8009-2602 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8009-2602?
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What is the minimum amount of 8009-2602 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8009-2602
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8009-2602
  • 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 8009-2602 available by request