J093-0620 Screening compound: N-(4-chloro-2,5-dimethoxyphenyl)-5-(furan-2-yl)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

J093-0620 Screening compound: N-(4-chloro-2,5-dimethoxyphenyl)-5-(furan-2-yl)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
J093-0620 Screening compound: N-(4-chloro-2,5-dimethoxyphenyl)-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 J093-0620
N-(4-chloro-2,5-dimethoxyphenyl)-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

J093-0620

Molecular Formula

C19H13ClF3N5O4 (C19 H13 ClF3 N5 O4)

Compound Name

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

IUPAC name

N-(4-chloro-25-dimethoxyphenyl)-5-(furan-2-yl)-7-(trifluoromethyl)-[124]triazolo[15-a]pyrimidine-2-carboxamide

SMILES

COc(c(NC(c1nn2c(C(F)(F)F)cc(-c3ccco3)nc2n1)=O)c1)cc(Cl)c1OC

InChI

InChI=1S/C19H13ClF3N5O4/c1-30-13-7-10(14(31-2)6-9(13)20)24-17(29)16-26-18-25-11(12-4-3-5-32-12)8-15(19(21,22)23)28(18)27-16/h3-8H,1-2H3,(H,24,29)

InChI Key

QOGVQVXFJMQDLU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15080512

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

467.79

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.806

Distribution Coefficient, logD

3.648

Water Solubility, LogSw

-4.32

Polar Surface Area

76.014

Acid Dissociation Constant (pKa)

7.76

Base Dissociation Constant (pKb)

-0.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.80

J093-0620 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Anti-Inflammatory Library (24602 compounds)

Antiviral Library (67538 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with J093-0620 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J093-0620?
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What is the minimum amount of J093-0620 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J093-0620
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J093-0620
  • 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 J093-0620 available by request