J093-0696 Screening compound: 4-[5-(furan-2-yl)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl]morpholine

J093-0696 Screening compound: 4-[5-(furan-2-yl)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl]morpholine
J093-0696 Screening compound: 4-[5-(furan-2-yl)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl]morpholine alternative view

Chemical Structure Depiction of ChemDiv screening compound J093-0696
4-[5-(furan-2-yl)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl]morpholine

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

J093-0696

Molecular Formula

C15H12F3N5O3 (C15 H12 F3 N5 O3)

Compound Name

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

IUPAC name

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

SMILES

O=C(c1nn2c(C(F)(F)F)cc(-c3ccco3)nc2n1)N1CCOCC1

InChI

InChI=1S/C15H12F3N5O3/c16-15(17,18)11-8-9(10-2-1-5-26-10)19-14-20-12(21-23(11)14)13(24)22-3-6-25-7-4-22/h1-2,5,8H,3-4,6-7H2

InChI Key

GUHJTTMRSJJGCV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15080579

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

367.29

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.420

Distribution Coefficient, logD

1.420

Water Solubility, LogSw

-1.56

Polar Surface Area

62.916

Acid Dissociation Constant (pKa)

29.10

Base Dissociation Constant (pKb)

-0.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

J093-0696 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with J093-0696 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J093-0696?
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What is the minimum amount of J093-0696 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J093-0696
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J093-0696
  • 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 J093-0696 available by request