Y508-9940 Screening compound: 2-(4-chloro-3-methyl-1H-pyrazol-1-yl)-N~1~-[3-(difluoromethyl)-5-(ethylsulfanyl)-4H-1,2,4-triazol-4-yl]acetamide

Y508-9940 Screening compound: 2-(4-chloro-3-methyl-1H-pyrazol-1-yl)-N~1~-[3-(difluoromethyl)-5-(ethylsulfanyl)-4H-1,2,4-triazol-4-yl]acetamide
Y508-9940 Screening compound: 2-(4-chloro-3-methyl-1H-pyrazol-1-yl)-N~1~-[3-(difluoromethyl)-5-(ethylsulfanyl)-4H-1,2,4-triazol-4-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y508-9940
2-(4-chloro-3-methyl-1H-pyrazol-1-yl)-N~1~-[3-(difluoromethyl)-5-(ethylsulfanyl)-4H-1,2,4-triazol-4-yl]acetamide

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

Y508-9940

Molecular Formula

C11H13ClF2N6OS (C11 H13 ClF2 N6 OS)

Compound Name

2-(4-chloro-3-methyl-1H-pyrazol-1-yl)-N~1~-[3-(difluoromethyl)-5-(ethylsulfanyl)-4H-1,2,4-triazol-4-yl]acetamide

IUPAC name

n/a

SMILES

CCSc1nnc(C(F)F)n1NC(Cn1nc(C)c(Cl)c1)=O

InChI

InChI=1S/C11H13ClF2N6OS/c1-3-22-11-16-15-10(9(13)14)20(11)18-8(21)5-19-4-7(12)6(2)17-19/h4,9H,3,5H2,1-2H3,(H,18,21)

InChI Key

RHRDTJFFIDLKOV-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

350.78

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.947

Distribution Coefficient, logD

0.947

Water Solubility, LogSw

-2.62

Polar Surface Area

66.779

Acid Dissociation Constant (pKa)

15.71

Base Dissociation Constant (pKb)

-0.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.50

References: we are preparing a list of scientific research reports with Y508-9940 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y508-9940?
Check Price and Availability of Y508-9940, 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 Y508-9940 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y508-9940
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y508-9940
  • 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 Y508-9940 available by request