D494-0559 Screening compound: N-(4-fluorophenyl)-3-{[5-methyl-2-(pyridin-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino}propanamide

D494-0559 Screening compound: N-(4-fluorophenyl)-3-{[5-methyl-2-(pyridin-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino}propanamide
D494-0559 Screening compound: N-(4-fluorophenyl)-3-{[5-methyl-2-(pyridin-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino}propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D494-0559
N-(4-fluorophenyl)-3-{[5-methyl-2-(pyridin-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino}propanamide

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

D494-0559

Molecular Formula

C20H18FN7O (C20 H18 FN7 O)

Compound Name

N-(4-fluorophenyl)-3-{[5-methyl-2-(pyridin-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino}propanamide

IUPAC name

N-(4-fluorophenyl)-3-{[5-methyl-2-(pyridin-3-yl)-[124]triazolo[15-a]pyrimidin-7-yl]amino}propanamide

SMILES

Cc1nc2nc(-c3cnccc3)nn2c(NCCC(Nc(cc2)ccc2F)=O)c1

InChI

InChI=1S/C20H18FN7O/c1-13-11-17(23-10-8-18(29)25-16-6-4-15(21)5-7-16)28-20(24-13)26-19(27-28)14-3-2-9-22-12-14/h2-7,9,11-12,23H,8,10H2,1H3,(H,25,29)

InChI Key

ONSNCULGJQXIFJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27589471

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

391.41

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.904

Distribution Coefficient, logD

1.750

Water Solubility, LogSw

-2.18

Polar Surface Area

73.671

Acid Dissociation Constant (pKa)

10.52

Base Dissociation Constant (pKb)

7.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

References: we are preparing a list of scientific research reports with D494-0559 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D494-0559?
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What is the minimum amount of D494-0559 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D494-0559
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D494-0559
  • 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 D494-0559 available by request