6173-0303 Screening compound: N-cyclohexyl-N-methyl[({4-amino-6-[(3-chloro-2-methylphenyl)amino]-1,3,5-triazin-2-yl}methyl)sulfanyl]carbothioamide

6173-0303 Screening compound: N-cyclohexyl-N-methyl[({4-amino-6-[(3-chloro-2-methylphenyl)amino]-1,3,5-triazin-2-yl}methyl)sulfanyl]carbothioamide
6173-0303 Screening compound: N-cyclohexyl-N-methyl[({4-amino-6-[(3-chloro-2-methylphenyl)amino]-1,3,5-triazin-2-yl}methyl)sulfanyl]carbothioamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6173-0303
N-cyclohexyl-N-methyl[({4-amino-6-[(3-chloro-2-methylphenyl)amino]-1,3,5-triazin-2-yl}methyl)sulfanyl]carbothioamide

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

6173-0303

Molecular Formula

C19H25ClN6S2 (C19 H25 ClN6 S2)

Compound Name

N-cyclohexyl-N-methyl[({4-amino-6-[(3-chloro-2-methylphenyl)amino]-1,3,5-triazin-2-yl}methyl)sulfanyl]carbothioamide

IUPAC name

N-cyclohexyl-N-methyl[({4-amino-6-[(3-chloro-2-methylphenyl)amino]-135-triazin-2-yl}methyl)sulfanyl]carbothioamide

SMILES

Cc(c(Nc1nc(N)nc(CSC(N(C)C2CCCCC2)=S)n1)ccc1)c1Cl

InChI

InChI=1S/C19H25ClN6S2/c1-12-14(20)9-6-10-15(12)22-18-24-16(23-17(21)25-18)11-28-19(27)26(2)13-7-4-3-5-8-13/h6,9-10,13H,3-5,7-8,11H2,1-2H3,(H3,21,22,23,24,25)

InChI Key

MGDMUYQFLIVPFF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03941423

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

437.03

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.603

Distribution Coefficient, logD

5.600

Water Solubility, LogSw

-5.86

Polar Surface Area

62.284

Acid Dissociation Constant (pKa)

15.52

Base Dissociation Constant (pKb)

5.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.40

6173-0303 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro
Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 6173-0303 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6173-0303?
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What is the minimum amount of 6173-0303 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6173-0303
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6173-0303
  • 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 6173-0303 available by request