8007-7654 Screening compound: 3-phenyl-N-[2-({[(2-phenylethyl)carbamoyl]methyl}sulfanyl)-1,3-benzothiazol-6-yl]propanamide

8007-7654 Screening compound: 3-phenyl-N-[2-({[(2-phenylethyl)carbamoyl]methyl}sulfanyl)-1,3-benzothiazol-6-yl]propanamide
8007-7654 Screening compound: 3-phenyl-N-[2-({[(2-phenylethyl)carbamoyl]methyl}sulfanyl)-1,3-benzothiazol-6-yl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8007-7654
3-phenyl-N-[2-({[(2-phenylethyl)carbamoyl]methyl}sulfanyl)-1,3-benzothiazol-6-yl]propanamide

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

8007-7654

Molecular Formula

C26H25N3O2S2 (C26 H25 N3 O2 S2)

Compound Name

3-phenyl-N-[2-({[(2-phenylethyl)carbamoyl]methyl}sulfanyl)-1,3-benzothiazol-6-yl]propanamide

IUPAC name

3-phenyl-N-[2-({[(2-phenylethyl)carbamoyl]methyl}sulfanyl)-13-benzothiazol-6-yl]propanamide

SMILES

O=C(CCc1ccccc1)Nc(cc1)cc2c1nc(SCC(NCCc1ccccc1)=O)s2

InChI

InChI=1S/C26H25N3O2S2/c30-24(14-11-19-7-3-1-4-8-19)28-21-12-13-22-23(17-21)33-26(29-22)32-18-25(31)27-16-15-20-9-5-2-6-10-20/h1-10,12-13,17H,11,14-16,18H2,(H,27,31)(H,28,30)

InChI Key

OANKLASMIHKYDX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01304291

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

475.64

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.972

Distribution Coefficient, logD

4.972

Water Solubility, LogSw

-4.91

Polar Surface Area

56.239

Acid Dissociation Constant (pKa)

11.16

Base Dissociation Constant (pKb)

0.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.20

8007-7654 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

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

Serine Proteases Inhibitors Library (32732 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with 8007-7654 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8007-7654?
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What is the minimum amount of 8007-7654 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8007-7654
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8007-7654
  • 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 8007-7654 available by request