J093-0716 Screening compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(furan-2-yl)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

J093-0716 Screening compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(furan-2-yl)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
J093-0716 Screening compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-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 J093-0716
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-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

J093-0716

Molecular Formula

C19H12F3N5O4 (C19 H12 F3 N5 O4)

Compound Name

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(furan-2-yl)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

IUPAC name

N-(23-dihydro-14-benzodioxin-6-yl)-5-(furan-2-yl)-7-(trifluoromethyl)-[124]triazolo[15-a]pyrimidine-2-carboxamide

SMILES

O=C(c1nn2c(C(F)(F)F)cc(-c3ccco3)nc2n1)Nc(cc1)cc2c1OCCO2

InChI

InChI=1S/C19H12F3N5O4/c20-19(21,22)15-9-11(12-2-1-5-29-12)24-18-25-16(26-27(15)18)17(28)23-10-3-4-13-14(8-10)31-7-6-30-13/h1-5,8-9H,6-7H2,(H,23,28)

InChI Key

JCTOIGFMLHEEFI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15080594

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

431.33

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.292

Distribution Coefficient, logD

2.292

Water Solubility, LogSw

-3.06

Polar Surface Area

77.274

Acid Dissociation Constant (pKa)

10.67

Base Dissociation Constant (pKb)

2.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.80

J093-0716 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with J093-0716 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J093-0716?
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What is the minimum amount of J093-0716 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J093-0716
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J093-0716
  • 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 J093-0716 available by request