Y508-0399 Screening compound: N~2~-(2-chloro-4-nitrophenyl)-5-(2-thienyl)-7-(trifluoromethyl)[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

Y508-0399 Screening compound: N~2~-(2-chloro-4-nitrophenyl)-5-(2-thienyl)-7-(trifluoromethyl)[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
Y508-0399 Screening compound: N~2~-(2-chloro-4-nitrophenyl)-5-(2-thienyl)-7-(trifluoromethyl)[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y508-0399
N~2~-(2-chloro-4-nitrophenyl)-5-(2-thienyl)-7-(trifluoromethyl)[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

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

Y508-0399

Molecular Formula

C17H8ClF3N6O3S (C17 H8 ClF3 N6 O3 S)

Compound Name

N~2~-(2-chloro-4-nitrophenyl)-5-(2-thienyl)-7-(trifluoromethyl)[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

IUPAC name

n/a

SMILES

[O-][N+](c(cc1)cc(Cl)c1NC(c1nn2c(C(F)(F)F)cc(-c3cccs3)nc2n1)=O)=O

InChI

InChI=1S/C17H8ClF3N6O3S/c18-9-6-8(27(29)30)3-4-10(9)22-15(28)14-24-16-23-11(12-2-1-5-31-12)7-13(17(19,20)21)26(16)25-14/h1-7H,(H,22,28)

InChI Key

MTBCJADFJXKJJT-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

468.8

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.498

Distribution Coefficient, logD

4.060

Water Solubility, LogSw

-4.70

Polar Surface Area

86.574

Acid Dissociation Constant (pKa)

7.16

Base Dissociation Constant (pKb)

-0.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.90

References: we are preparing a list of scientific research reports with Y508-0399 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y508-0399?
Check Price and Availability of Y508-0399, 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 Y508-0399 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y508-0399
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y508-0399
  • 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 Y508-0399 available by request