J093-0704 Screening compound: 1-[5-(furan-2-yl)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl]-4-(pyridin-2-yl)piperazine

J093-0704 Screening compound: 1-[5-(furan-2-yl)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl]-4-(pyridin-2-yl)piperazine
J093-0704 Screening compound: 1-[5-(furan-2-yl)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl]-4-(pyridin-2-yl)piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound J093-0704
1-[5-(furan-2-yl)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl]-4-(pyridin-2-yl)piperazine

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

J093-0704

Molecular Formula

C20H16F3N7O2 (C20 H16 F3 N7 O2)

Compound Name

1-[5-(furan-2-yl)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl]-4-(pyridin-2-yl)piperazine

IUPAC name

1-[5-(furan-2-yl)-7-(trifluoromethyl)-[124]triazolo[15-a]pyrimidine-2-carbonyl]-4-(pyridin-2-yl)piperazine

SMILES

O=C(c1nn2c(C(F)(F)F)cc(-c3ccco3)nc2n1)N(CC1)CCN1c1ncccc1

InChI

InChI=1S/C20H16F3N7O2/c21-20(22,23)15-12-13(14-4-3-11-32-14)25-19-26-17(27-30(15)19)18(31)29-9-7-28(8-10-29)16-5-1-2-6-24-16/h1-6,11-12H,7-10H2

InChI Key

QMSNUHMQHUNMID-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15080584

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.39

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.882

Distribution Coefficient, logD

2.873

Water Solubility, LogSw

-3.08

Polar Surface Area

66.779

Acid Dissociation Constant (pKa)

24.85

Base Dissociation Constant (pKb)

5.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

J093-0704 in Drug Discovery

Included in Screening Libraries

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

SmartTM Library (51161 compounds)

Akt-Targeted Library (14764 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with J093-0704 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J093-0704?
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What is the minimum amount of J093-0704 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J093-0704
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J093-0704
  • 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 J093-0704 available by request