Y502-6353 Screening compound: 2-{[5-(3,4-dimethylphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]carbonyl}-N~1~-(2-methylphenyl)-1-hydrazinecarbothioamide

Y502-6353 Screening compound: 2-{[5-(3,4-dimethylphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]carbonyl}-N~1~-(2-methylphenyl)-1-hydrazinecarbothioamide
Y502-6353 Screening compound: 2-{[5-(3,4-dimethylphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]carbonyl}-N~1~-(2-methylphenyl)-1-hydrazinecarbothioamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y502-6353
2-{[5-(3,4-dimethylphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]carbonyl}-N~1~-(2-methylphenyl)-1-hydrazinecarbothioamide

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

Y502-6353

Molecular Formula

C24H25F3N6OS (C24 H25 F3 N6 OS)

Compound Name

2-{[5-(3,4-dimethylphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]carbonyl}-N~1~-(2-methylphenyl)-1-hydrazinecarbothioamide

IUPAC name

5-(34-dimethylphenyl)-N-{[(2-methylphenyl)carbamothioyl]amino}-7-(trifluoromethyl)-4H5H6H7H-pyrazolo[15-a]pyrimidine-2-carboxamide

SMILES

Cc1c(C)cc(C(C2)Nc3cc(C(NNC(Nc4c(C)cccc4)=S)=O)nn3C2C(F)(F)F)cc1

InChI

InChI=1S/C24H25F3N6OS/c1-13-8-9-16(10-15(13)3)18-11-20(24(25,26)27)33-21(28-18)12-19(32-33)22(34)30-31-23(35)29-17-7-5-4-6-14(17)2/h4-10,12,18,20,28H,11H2,1-3H3,(H,30,34)(H2,29,31,35)

InChI Key

UVHPJNLZSIUJRN-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

502.56

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.207

Distribution Coefficient, logD

5.206

Water Solubility, LogSw

-4.97

Polar Surface Area

73.996

Acid Dissociation Constant (pKa)

10.03

Base Dissociation Constant (pKb)

4.37

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

29.17

References: we are preparing a list of scientific research reports with Y502-6353 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y502-6353?
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What is the minimum amount of Y502-6353 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y502-6353
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y502-6353
  • 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 Y502-6353 available by request