J093-0660 Screening compound: 1-[5-(furan-2-yl)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl]azepane

J093-0660 Screening compound: 1-[5-(furan-2-yl)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl]azepane
J093-0660 Screening compound: 1-[5-(furan-2-yl)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl]azepane alternative view

Chemical Structure Depiction of ChemDiv screening compound J093-0660
1-[5-(furan-2-yl)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl]azepane

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

J093-0660

Molecular Formula

C17H16F3N5O2 (C17 H16 F3 N5 O2)

Compound Name

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

IUPAC name

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

SMILES

O=C(c1nn2c(C(F)(F)F)cc(-c3ccco3)nc2n1)N1CCCCCC1

InChI

InChI=1S/C17H16F3N5O2/c18-17(19,20)13-10-11(12-6-5-9-27-12)21-16-22-14(23-25(13)16)15(26)24-7-3-1-2-4-8-24/h5-6,9-10H,1-4,7-8H2

InChI Key

HPMPIPYICUAICS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15080548

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

379.34

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.075

Distribution Coefficient, logD

3.075

Water Solubility, LogSw

-3.12

Polar Surface Area

55.339

Acid Dissociation Constant (pKa)

28.03

Base Dissociation Constant (pKb)

0.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.20

J093-0660 in Drug Discovery

Included in Screening Libraries

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 J093-0660 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J093-0660?
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What is the minimum amount of J093-0660 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J093-0660
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J093-0660
  • 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 J093-0660 available by request