8013-5651 Screening compound: 3-[(3,5-dichloropyridin-2-yl)amino]-1-[4-(trifluoromethoxy)phenyl]thiourea

8013-5651 Screening compound: 3-[(3,5-dichloropyridin-2-yl)amino]-1-[4-(trifluoromethoxy)phenyl]thiourea
8013-5651 Screening compound: 3-[(3,5-dichloropyridin-2-yl)amino]-1-[4-(trifluoromethoxy)phenyl]thiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-5651
3-[(3,5-dichloropyridin-2-yl)amino]-1-[4-(trifluoromethoxy)phenyl]thiourea

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

8013-5651

Molecular Formula

C13H9Cl2F3N4OS (C13 H9 Cl2 F3 N4 OS)

Compound Name

3-[(3,5-dichloropyridin-2-yl)amino]-1-[4-(trifluoromethoxy)phenyl]thiourea

IUPAC name

3-[(35-dichloropyridin-2-yl)amino]-1-[4-(trifluoromethoxy)phenyl]thiourea

SMILES

FC(Oc(cc1)ccc1NC(NNc(ncc(Cl)c1)c1Cl)=S)(F)F

InChI

InChI=1S/C13H9Cl2F3N4OS/c14-7-5-10(15)11(19-6-7)21-22-12(24)20-8-1-3-9(4-2-8)23-13(16,17)18/h1-6H,(H,19,21)(H2,20,22,24)

InChI Key

WQDOQJZAWADKBA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03766745

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

397.21

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.635

Distribution Coefficient, logD

4.634

Water Solubility, LogSw

-5.03

Polar Surface Area

48.701

Acid Dissociation Constant (pKa)

11.40

Base Dissociation Constant (pKb)

4.65

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.70

8013-5651 in Drug Discovery

Included in Screening Libraries

Chelators targeting matrix metalloproteinases library (8930 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 8013-5651 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-5651?
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What is the minimum amount of 8013-5651 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-5651
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-5651
  • 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 8013-5651 available by request