2219-0164 Screening compound: 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(cyclohexylcarbamothioyl)amino]acetamide

2219-0164 Screening compound: 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(cyclohexylcarbamothioyl)amino]acetamide
2219-0164 Screening compound: 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(cyclohexylcarbamothioyl)amino]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2219-0164
2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(cyclohexylcarbamothioyl)amino]acetamide

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

2219-0164

Molecular Formula

C16H20N4OS3 (C16 H20 N4 OS3)

Compound Name

2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(cyclohexylcarbamothioyl)amino]acetamide

IUPAC name

2-(13-benzothiazol-2-ylsulfanyl)-N-[(cyclohexylcarbamothioyl)amino]acetamide

SMILES

O=C(CSc1nc(cccc2)c2s1)NNC(NC1CCCCC1)=S

InChI

InChI=1S/C16H20N4OS3/c21-14(19-20-15(22)17-11-6-2-1-3-7-11)10-23-16-18-12-8-4-5-9-13(12)24-16/h4-5,8-9,11H,1-3,6-7,10H2,(H,19,21)(H2,17,20,22)

InChI Key

AXDNEDMLJNWMEF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00170506

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

380.56

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.768

Distribution Coefficient, logD

3.665

Water Solubility, LogSw

-3.97

Polar Surface Area

57.082

Acid Dissociation Constant (pKa)

8.00

Base Dissociation Constant (pKb)

0.89

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

43.80

2219-0164 in Drug Discovery

Included in Screening Libraries

Chelators targeting matrix metalloproteinases library (8930 compounds)

Covalent Inhibitors Library (7986 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Cardiovascular
Targets:
  • Proteases
Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with 2219-0164 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2219-0164?
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What is the minimum amount of 2219-0164 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2219-0164
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2219-0164
  • 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 2219-0164 available by request