J093-0893 Screening compound: N-[(4-chlorophenyl)methyl]-5-(thiophen-2-yl)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

J093-0893 Screening compound: N-[(4-chlorophenyl)methyl]-5-(thiophen-2-yl)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
J093-0893 Screening compound: N-[(4-chlorophenyl)methyl]-5-(thiophen-2-yl)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J093-0893
N-[(4-chlorophenyl)methyl]-5-(thiophen-2-yl)-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

J093-0893

Molecular Formula

C18H11ClF3N5OS (C18 H11 ClF3 N5 OS)

Compound Name

N-[(4-chlorophenyl)methyl]-5-(thiophen-2-yl)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

IUPAC name

N-[(4-chlorophenyl)methyl]-5-(thiophen-2-yl)-7-(trifluoromethyl)-[124]triazolo[15-a]pyrimidine-2-carboxamide

SMILES

O=C(c1nn2c(C(F)(F)F)cc(-c3cccs3)nc2n1)NCc(cc1)ccc1Cl

InChI

InChI=1S/C18H11ClF3N5OS/c19-11-5-3-10(4-6-11)9-23-16(28)15-25-17-24-12(13-2-1-7-29-13)8-14(18(20,21)22)27(17)26-15/h1-8H,9H2,(H,23,28)

InChI Key

YWESGZZPQJADJH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15080644

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

437.83

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.325

Distribution Coefficient, logD

4.325

Water Solubility, LogSw

-4.66

Polar Surface Area

55.213

Acid Dissociation Constant (pKa)

12.04

Base Dissociation Constant (pKb)

-0.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

J093-0893 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with J093-0893 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J093-0893?
Check Price and Availability of J093-0893, 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 J093-0893 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J093-0893
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J093-0893
  • 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 J093-0893 available by request