D494-0316 Screening compound: N-[(4-fluorophenyl)methyl]-5-(propan-2-yl)-2-(pyridin-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

D494-0316 Screening compound: N-[(4-fluorophenyl)methyl]-5-(propan-2-yl)-2-(pyridin-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
D494-0316 Screening compound: N-[(4-fluorophenyl)methyl]-5-(propan-2-yl)-2-(pyridin-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound D494-0316
N-[(4-fluorophenyl)methyl]-5-(propan-2-yl)-2-(pyridin-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

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

D494-0316

Molecular Formula

C20H19FN6 (C20 H19 FN6)

Compound Name

N-[(4-fluorophenyl)methyl]-5-(propan-2-yl)-2-(pyridin-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

IUPAC name

N-[(4-fluorophenyl)methyl]-5-(propan-2-yl)-2-(pyridin-3-yl)-[124]triazolo[15-a]pyrimidin-7-amine

SMILES

CC(C)c1nc2nc(-c3cnccc3)nn2c(NCc(cc2)ccc2F)c1

InChI

InChI=1S/C20H19FN6/c1-13(2)17-10-18(23-11-14-5-7-16(21)8-6-14)27-20(24-17)25-19(26-27)15-4-3-9-22-12-15/h3-10,12-13,23H,11H2,1-2H3

InChI Key

RXFIDUIGEDAKTK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27589348

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

362.41

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.351

Distribution Coefficient, logD

3.116

Water Solubility, LogSw

-3.24

Polar Surface Area

50.874

Acid Dissociation Constant (pKa)

15.22

Base Dissociation Constant (pKb)

7.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

References: we are preparing a list of scientific research reports with D494-0316 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D494-0316?
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What is the minimum amount of D494-0316 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D494-0316
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D494-0316
  • 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 D494-0316 available by request