8010-3655 Screening compound: N-[2-({[(4-ethoxyphenyl)carbamoyl]methyl}sulfanyl)-1,3-benzothiazol-6-yl]-2-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]butanamide

8010-3655 Screening compound: N-[2-({[(4-ethoxyphenyl)carbamoyl]methyl}sulfanyl)-1,3-benzothiazol-6-yl]-2-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]butanamide
8010-3655 Screening compound: N-[2-({[(4-ethoxyphenyl)carbamoyl]methyl}sulfanyl)-1,3-benzothiazol-6-yl]-2-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8010-3655
N-[2-({[(4-ethoxyphenyl)carbamoyl]methyl}sulfanyl)-1,3-benzothiazol-6-yl]-2-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]butanamide

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

8010-3655

Molecular Formula

C28H27N7O3S3 (C28 H27 N7 O3 S3)

Compound Name

N-[2-({[(4-ethoxyphenyl)carbamoyl]methyl}sulfanyl)-1,3-benzothiazol-6-yl]-2-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]butanamide

IUPAC name

N-[2-({[(4-ethoxyphenyl)carbamoyl]methyl}sulfanyl)-13-benzothiazol-6-yl]-2-[(1-phenyl-1H-1234-tetrazol-5-yl)sulfanyl]butanamide

SMILES

CCC(C(Nc(cc1)cc2c1nc(SCC(Nc(cc1)ccc1OCC)=O)s2)=O)Sc1nnnn1-c1ccccc1

InChI

InChI=1S/C28H27N7O3S3/c1-3-23(40-27-32-33-34-35(27)20-8-6-5-7-9-20)26(37)30-19-12-15-22-24(16-19)41-28(31-22)39-17-25(36)29-18-10-13-21(14-11-18)38-4-2/h5-16,23H,3-4,17H2,1-2H3,(H,29,36)(H,30,37)/t23-/m0/s1

InChI Key

QWVDYCSFYZSUDP-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD01872038

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

605.77

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

14.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

6.210

Distribution Coefficient, logD

6.210

Water Solubility, LogSw

-5.43

Polar Surface Area

102.334

Acid Dissociation Constant (pKa)

11.46

Base Dissociation Constant (pKb)

3.30

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

21.40

8010-3655 in Drug Discovery

Included in Screening Libraries

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

MCL1 Targeted Library (12200 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with 8010-3655 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8010-3655?
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What is the minimum amount of 8010-3655 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8010-3655
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8010-3655
  • 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 8010-3655 available by request