8008-5808 Screening compound: N-[2-({[(4-butoxyphenyl)carbamoyl]methyl}sulfanyl)-1,3-benzothiazol-6-yl]-2-methoxybenzamide

8008-5808 Screening compound: N-[2-({[(4-butoxyphenyl)carbamoyl]methyl}sulfanyl)-1,3-benzothiazol-6-yl]-2-methoxybenzamide
8008-5808 Screening compound: N-[2-({[(4-butoxyphenyl)carbamoyl]methyl}sulfanyl)-1,3-benzothiazol-6-yl]-2-methoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8008-5808
N-[2-({[(4-butoxyphenyl)carbamoyl]methyl}sulfanyl)-1,3-benzothiazol-6-yl]-2-methoxybenzamide

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

8008-5808

Molecular Formula

C27H27N3O4S2 (C27 H27 N3 O4 S2)

Compound Name

N-[2-({[(4-butoxyphenyl)carbamoyl]methyl}sulfanyl)-1,3-benzothiazol-6-yl]-2-methoxybenzamide

IUPAC name

N-[2-({[(4-butoxyphenyl)carbamoyl]methyl}sulfanyl)-13-benzothiazol-6-yl]-2-methoxybenzamide

SMILES

CCCCOc(cc1)ccc1NC(CSc1nc(ccc(NC(c(cccc2)c2OC)=O)c2)c2s1)=O

InChI

InChI=1S/C27H27N3O4S2/c1-3-4-15-34-20-12-9-18(10-13-20)28-25(31)17-35-27-30-22-14-11-19(16-24(22)36-27)29-26(32)21-7-5-6-8-23(21)33-2/h5-14,16H,3-4,15,17H2,1-2H3,(H,28,31)(H,29,32)

InChI Key

JBQRJQNZJSWZCZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01234909

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

521.66

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.397

Distribution Coefficient, logD

6.386

Water Solubility, LogSw

-5.61

Polar Surface Area

70.337

Acid Dissociation Constant (pKa)

8.98

Base Dissociation Constant (pKb)

3.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

8008-5808 in Drug Discovery

Included in Screening Libraries

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

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 8008-5808 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8008-5808?
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What is the minimum amount of 8008-5808 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8008-5808
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8008-5808
  • 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 8008-5808 available by request