J093-0005 Screening compound: N-[4-(butan-2-yl)phenyl]-5-(4-fluorophenyl)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

J093-0005 Screening compound: N-[4-(butan-2-yl)phenyl]-5-(4-fluorophenyl)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
J093-0005 Screening compound: N-[4-(butan-2-yl)phenyl]-5-(4-fluorophenyl)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J093-0005
N-[4-(butan-2-yl)phenyl]-5-(4-fluorophenyl)-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

J093-0005

Molecular Formula

C23H19F4N5O (C23 H19 F4 N5 O)

Compound Name

N-[4-(butan-2-yl)phenyl]-5-(4-fluorophenyl)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

IUPAC name

N-[4-(butan-2-yl)phenyl]-5-(4-fluorophenyl)-7-(trifluoromethyl)-[124]triazolo[15-a]pyrimidine-2-carboxamide

SMILES

CCC(C)c(cc1)ccc1NC(c1nn2c(C(F)(F)F)cc(-c(cc3)ccc3F)nc2n1)=O

InChI

InChI=1S/C23H19F4N5O/c1-3-13(2)14-6-10-17(11-7-14)28-21(33)20-30-22-29-18(15-4-8-16(24)9-5-15)12-19(23(25,26)27)32(22)31-20/h4-13H,3H2,1-2H3,(H,28,33)/t13-/m0/s1

InChI Key

KPYDLWTZAHJCHY-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD15080427

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

457.43

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.370

Distribution Coefficient, logD

6.370

Water Solubility, LogSw

-5.56

Polar Surface Area

52.872

Acid Dissociation Constant (pKa)

11.86

Base Dissociation Constant (pKb)

-0.37

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

21.70

References: we are preparing a list of scientific research reports with J093-0005 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J093-0005?
Check Price and Availability of J093-0005, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of J093-0005 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J093-0005
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J093-0005
  • 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 J093-0005 available by request