J093-0746 Screening compound: N-[4-(diethylamino)-2-methylphenyl]-5-(furan-2-yl)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

J093-0746 Screening compound: N-[4-(diethylamino)-2-methylphenyl]-5-(furan-2-yl)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
J093-0746 Screening compound: N-[4-(diethylamino)-2-methylphenyl]-5-(furan-2-yl)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J093-0746
N-[4-(diethylamino)-2-methylphenyl]-5-(furan-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

J093-0746

Molecular Formula

C22H21F3N6O2 (C22 H21 F3 N6 O2)

Compound Name

N-[4-(diethylamino)-2-methylphenyl]-5-(furan-2-yl)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

IUPAC name

N-[4-(diethylamino)-2-methylphenyl]-5-(furan-2-yl)-7-(trifluoromethyl)-[124]triazolo[15-a]pyrimidine-2-carboxamide

SMILES

CCN(CC)c(cc1)cc(C)c1NC(c1nn2c(C(F)(F)F)cc(-c3ccco3)nc2n1)=O

InChI

InChI=1S/C22H21F3N6O2/c1-4-30(5-2)14-8-9-15(13(3)11-14)26-20(32)19-28-21-27-16(17-7-6-10-33-17)12-18(22(23,24)25)31(21)29-19/h6-12H,4-5H2,1-3H3,(H,26,32)

InChI Key

UHLKYCCOTDZNGZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15080613

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

458.44

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.295

Distribution Coefficient, logD

4.085

Water Solubility, LogSw

-4.24

Polar Surface Area

63.489

Acid Dissociation Constant (pKa)

11.56

Base Dissociation Constant (pKb)

9.85

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

J093-0746 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with J093-0746 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J093-0746?
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What is the minimum amount of J093-0746 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J093-0746
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J093-0746
  • 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 J093-0746 available by request