0602-0083 Screening compound: 2,4-dichloro-N-(2,2,2-trichloro-1-{[(pyridin-2-yl)carbamothioyl]amino}ethyl)benzamide

0602-0083 Screening compound: 2,4-dichloro-N-(2,2,2-trichloro-1-{[(pyridin-2-yl)carbamothioyl]amino}ethyl)benzamide
0602-0083 Screening compound: 2,4-dichloro-N-(2,2,2-trichloro-1-{[(pyridin-2-yl)carbamothioyl]amino}ethyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 0602-0083
2,4-dichloro-N-(2,2,2-trichloro-1-{[(pyridin-2-yl)carbamothioyl]amino}ethyl)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

0602-0083

Molecular Formula

C15H11Cl5N4OS (C15 H11 Cl5 N4 OS)

Compound Name

2,4-dichloro-N-(2,2,2-trichloro-1-{[(pyridin-2-yl)carbamothioyl]amino}ethyl)benzamide

IUPAC name

24-dichloro-N-(222-trichloro-1-{[(pyridin-2-yl)carbamothioyl]amino}ethyl)benzamide

SMILES

O=C(c(ccc(Cl)c1)c1Cl)NC(C(Cl)(Cl)Cl)NC(Nc1ncccc1)=S

InChI

InChI=1S/C15H11Cl5N4OS/c16-8-4-5-9(10(17)7-8)12(25)23-13(15(18,19)20)24-14(26)22-11-3-1-2-6-21-11/h1-7,13H,(H,23,25)(H2,21,22,24,26)/t13-/m0/s1

InChI Key

BZBIQHVYXJVPNK-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD00632512

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

472.61

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.067

Distribution Coefficient, logD

5.067

Water Solubility, LogSw

-5.43

Polar Surface Area

52.975

Acid Dissociation Constant (pKa)

5.12

Base Dissociation Constant (pKb)

7.04

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

13.30

0602-0083 in Drug Discovery

Included in Screening Libraries

Chelators targeting matrix metalloproteinases library (8930 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Cardiovascular
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with 0602-0083 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0602-0083?
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What is the minimum amount of 0602-0083 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0602-0083
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0602-0083
  • 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 0602-0083 available by request