8008-5801 Screening compound: 4-bromo-N-(2-{[(cyclohexylcarbamoyl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)benzamide

8008-5801 Screening compound: 4-bromo-N-(2-{[(cyclohexylcarbamoyl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)benzamide
8008-5801 Screening compound: 4-bromo-N-(2-{[(cyclohexylcarbamoyl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8008-5801
4-bromo-N-(2-{[(cyclohexylcarbamoyl)methyl]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

8008-5801

Molecular Formula

C22H22BrN3O2S2 (C22 H22 BrN3 O2 S2)

Compound Name

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

IUPAC name

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

SMILES

O=C(CSc1nc(ccc(NC(c(cc2)ccc2Br)=O)c2)c2s1)NC1CCCCC1

InChI

InChI=1S/C22H22BrN3O2S2/c23-15-8-6-14(7-9-15)21(28)25-17-10-11-18-19(12-17)30-22(26-18)29-13-20(27)24-16-4-2-1-3-5-16/h6-12,16H,1-5,13H2,(H,24,27)(H,25,28)

InChI Key

OYYCKSDUPUHKLU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01305467

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

504.47

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

5.869

Distribution Coefficient, logD

5.864

Water Solubility, LogSw

-5.85

Polar Surface Area

56.336

Acid Dissociation Constant (pKa)

9.32

Base Dissociation Constant (pKb)

1.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.80

8008-5801 in Drug Discovery

Included in Screening Libraries

Lipid Metabolism Library (9174 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Metabolic
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with 8008-5801 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8008-5801?
Check Price and Availability of 8008-5801, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 8008-5801 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8008-5801
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8008-5801
  • 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 8008-5801 available by request