D494-0383 Screening compound: N1,N1-dimethyl-N4-[5-phenyl-2-(pyridin-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]benzene-1,4-diamine

D494-0383 Screening compound: N1,N1-dimethyl-N4-[5-phenyl-2-(pyridin-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]benzene-1,4-diamine
D494-0383 Screening compound: N1,N1-dimethyl-N4-[5-phenyl-2-(pyridin-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]benzene-1,4-diamine alternative view

Chemical Structure Depiction of ChemDiv screening compound D494-0383
N1,N1-dimethyl-N4-[5-phenyl-2-(pyridin-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]benzene-1,4-diamine

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

D494-0383

Molecular Formula

C24H21N7 (C24 H21 N7)

Compound Name

N1,N1-dimethyl-N4-[5-phenyl-2-(pyridin-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]benzene-1,4-diamine

IUPAC name

N1N1-dimethyl-N4-[5-phenyl-2-(pyridin-3-yl)-[124]triazolo[15-a]pyrimidin-7-yl]benzene-14-diamine

SMILES

CN(C)c(cc1)ccc1Nc1cc(-c2ccccc2)nc2nc(-c3cnccc3)nn12

InChI

InChI=1S/C24H21N7/c1-30(2)20-12-10-19(11-13-20)26-22-15-21(17-7-4-3-5-8-17)27-24-28-23(29-31(22)24)18-9-6-14-25-16-18/h3-16,26H,1-2H3

InChI Key

XLJSDTHCQYYPFV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27589389

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

407.48

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.628

Distribution Coefficient, logD

4.485

Water Solubility, LogSw

-4.28

Polar Surface Area

52.085

Acid Dissociation Constant (pKa)

18.56

Base Dissociation Constant (pKb)

6.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.30

D494-0383 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D494-0383 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D494-0383?
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What is the minimum amount of D494-0383 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D494-0383
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D494-0383
  • 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 D494-0383 available by request