J093-0570 Screening compound: 5-(4-methylphenyl)-N-[2-(2-methylpiperidin-1-yl)ethyl]-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

J093-0570 Screening compound: 5-(4-methylphenyl)-N-[2-(2-methylpiperidin-1-yl)ethyl]-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
J093-0570 Screening compound: 5-(4-methylphenyl)-N-[2-(2-methylpiperidin-1-yl)ethyl]-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J093-0570
5-(4-methylphenyl)-N-[2-(2-methylpiperidin-1-yl)ethyl]-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

J093-0570

Molecular Formula

C22H25F3N6O (C22 H25 F3 N6 O)

Compound Name

5-(4-methylphenyl)-N-[2-(2-methylpiperidin-1-yl)ethyl]-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

IUPAC name

5-(4-methylphenyl)-N-[2-(2-methylpiperidin-1-yl)ethyl]-7-(trifluoromethyl)-[124]triazolo[15-a]pyrimidine-2-carboxamide

SMILES

CC1N(CCNC(c2nn3c(C(F)(F)F)cc(-c4ccc(C)cc4)nc3n2)=O)CCCC1

InChI

InChI=1S/C22H25F3N6O/c1-14-6-8-16(9-7-14)17-13-18(22(23,24)25)31-21(27-17)28-19(29-31)20(32)26-10-12-30-11-4-3-5-15(30)2/h6-9,13,15H,3-5,10-12H2,1-2H3,(H,26,32)/t15-/m0/s1

InChI Key

XIIUMANUJQOQHG-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD27224701

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

446.48

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.746

Distribution Coefficient, logD

1.859

Water Solubility, LogSw

-3.89

Polar Surface Area

57.469

Acid Dissociation Constant (pKa)

13.25

Base Dissociation Constant (pKb)

9.28

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

45.50

J093-0570 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 J093-0570 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J093-0570?
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What is the minimum amount of J093-0570 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J093-0570
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J093-0570
  • 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 J093-0570 available by request