Y503-1329 Screening compound: [7-(4-chlorophenyl)-5-(trifluoromethyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl](1,3-dimethyl-1H-pyrazol-4-yl)methanone

Y503-1329 Screening compound: [7-(4-chlorophenyl)-5-(trifluoromethyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl](1,3-dimethyl-1H-pyrazol-4-yl)methanone
Y503-1329 Screening compound: [7-(4-chlorophenyl)-5-(trifluoromethyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl](1,3-dimethyl-1H-pyrazol-4-yl)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound Y503-1329
[7-(4-chlorophenyl)-5-(trifluoromethyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl](1,3-dimethyl-1H-pyrazol-4-yl)methanone

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

Y503-1329

Molecular Formula

C18H14ClF3N6O (C18 H14 ClF3 N6 O)

Compound Name

[7-(4-chlorophenyl)-5-(trifluoromethyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl](1,3-dimethyl-1H-pyrazol-4-yl)methanone

IUPAC name

4-[7-(4-chlorophenyl)-5-(trifluoromethyl)-4H7H-[124]triazolo[15-a]pyrimidine-6-carbonyl]-13-dimethyl-1H-pyrazole

SMILES

Cc1nn(C)cc1C(C1=C(C(F)(F)F)Nc2ncnn2C1c(cc1)ccc1Cl)=O

InChI

InChI=1S/C18H14ClF3N6O/c1-9-12(7-27(2)26-9)15(29)13-14(10-3-5-11(19)6-4-10)28-17(23-8-24-28)25-16(13)18(20,21)22/h3-8,14H,1-2H3,(H,23,24,25)/t14-/m0/s1

InChI Key

KMPHSWIXNNAQBQ-AWEZNQCLSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

422.8

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.043

Distribution Coefficient, logD

1.734

Water Solubility, LogSw

-3.86

Polar Surface Area

67.120

Acid Dissociation Constant (pKa)

6.11

Base Dissociation Constant (pKb)

-0.77

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

22.22

References: we are preparing a list of scientific research reports with Y503-1329 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y503-1329?
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What is the minimum amount of Y503-1329 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y503-1329
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y503-1329
  • 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 Y503-1329 available by request