D494-0293 Screening compound: N1,N1-dimethyl-N4-[5-(propan-2-yl)-2-(pyridin-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]benzene-1,4-diamine

D494-0293 Screening compound: N1,N1-dimethyl-N4-[5-(propan-2-yl)-2-(pyridin-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]benzene-1,4-diamine
D494-0293 Screening compound: N1,N1-dimethyl-N4-[5-(propan-2-yl)-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 D494-0293
N1,N1-dimethyl-N4-[5-(propan-2-yl)-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

D494-0293

Molecular Formula

C21H23N7 (C21 H23 N7)

Compound Name

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

IUPAC name

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

SMILES

CC(C)c1nc2nc(-c3cnccc3)nn2c(Nc(cc2)ccc2N(C)C)c1

InChI

InChI=1S/C21H23N7/c1-14(2)18-12-19(23-16-7-9-17(10-8-16)27(3)4)28-21(24-18)25-20(26-28)15-6-5-11-22-13-15/h5-14,23H,1-4H3

InChI Key

NNUCDQCXLVPVJO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27589329

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

373.46

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

3.895

Distribution Coefficient, logD

3.752

Water Solubility, LogSw

-3.76

Polar Surface Area

52.356

Acid Dissociation Constant (pKa)

17.14

Base Dissociation Constant (pKb)

6.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

D494-0293 in Drug Discovery

Included in Screening Libraries

Targeted Diversity Library (40567 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with D494-0293 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of D494-0293 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D494-0293
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D494-0293
  • 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 D494-0293 available by request