Y502-6136 Screening compound: 5-[7-(difluoromethyl)-5-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]-4-(2,3-dimethylphenyl)-4H-1,2,4-triazol-3-ylhydrosulfide

Y502-6136 Screening compound: 5-[7-(difluoromethyl)-5-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]-4-(2,3-dimethylphenyl)-4H-1,2,4-triazol-3-ylhydrosulfide
Y502-6136 Screening compound: 5-[7-(difluoromethyl)-5-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]-4-(2,3-dimethylphenyl)-4H-1,2,4-triazol-3-ylhydrosulfide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y502-6136
5-[7-(difluoromethyl)-5-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]-4-(2,3-dimethylphenyl)-4H-1,2,4-triazol-3-ylhydrosulfide

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

Y502-6136

Molecular Formula

C23H22F2N6S (C23 H22 F2 N6 S)

Compound Name

5-[7-(difluoromethyl)-5-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]-4-(2,3-dimethylphenyl)-4H-1,2,4-triazol-3-ylhydrosulfide

IUPAC name

5-[7-(difluoromethyl)-5-phenyl-4H5H6H7H-pyrazolo[15-a]pyrimidin-3-yl]-4-(23-dimethylphenyl)-4H-124-triazole-3-thiol

SMILES

Cc1cccc(-n2c(S)nnc2-c2c(NC(CC3C(F)F)c4ccccc4)n3nc2)c1C

InChI

InChI=1S/C23H22F2N6S/c1-13-7-6-10-18(14(13)2)30-22(28-29-23(30)32)16-12-26-31-19(20(24)25)11-17(27-21(16)31)15-8-4-3-5-9-15/h3-10,12,17,19-20,27H,11H2,1-2H3,(H,29,32)

InChI Key

NISOQKJKIADELR-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

452.53

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.504

Distribution Coefficient, logD

2.402

Water Solubility, LogSw

-4.32

Polar Surface Area

48.432

Acid Dissociation Constant (pKa)

5.30

Base Dissociation Constant (pKb)

6.50

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

26.09

Y502-6136 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with Y502-6136 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y502-6136?
Check Price and Availability of Y502-6136, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of Y502-6136 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y502-6136
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y502-6136
  • 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 Y502-6136 available by request