J093-0708 Screening compound: 5-(furan-2-yl)-N-[(2-methoxyphenyl)methyl]-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

J093-0708 Screening compound: 5-(furan-2-yl)-N-[(2-methoxyphenyl)methyl]-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
J093-0708 Screening compound: 5-(furan-2-yl)-N-[(2-methoxyphenyl)methyl]-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J093-0708
5-(furan-2-yl)-N-[(2-methoxyphenyl)methyl]-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

J093-0708

Molecular Formula

C19H14F3N5O3 (C19 H14 F3 N5 O3)

Compound Name

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

IUPAC name

5-(furan-2-yl)-N-[(2-methoxyphenyl)methyl]-7-(trifluoromethyl)-[124]triazolo[15-a]pyrimidine-2-carboxamide

SMILES

COc1c(CNC(c2nn3c(C(F)(F)F)cc(-c4ccco4)nc3n2)=O)cccc1

InChI

InChI=1S/C19H14F3N5O3/c1-29-13-6-3-2-5-11(13)10-23-17(28)16-25-18-24-12(14-7-4-8-30-14)9-15(19(20,21)22)27(18)26-16/h2-9H,10H2,1H3,(H,23,28)

InChI Key

YXNPVHRMJIVIRO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15080587

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

417.35

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.213

Distribution Coefficient, logD

3.213

Water Solubility, LogSw

-3.41

Polar Surface Area

70.403

Acid Dissociation Constant (pKa)

12.46

Base Dissociation Constant (pKb)

-0.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.80

References: we are preparing a list of scientific research reports with J093-0708 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J093-0708?
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What is the minimum amount of J093-0708 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J093-0708
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J093-0708
  • 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 J093-0708 available by request