D494-0355 Screening compound: N-[(furan-2-yl)methyl]-5-(propan-2-yl)-2-(pyridin-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

D494-0355 Screening compound: N-[(furan-2-yl)methyl]-5-(propan-2-yl)-2-(pyridin-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
D494-0355 Screening compound: N-[(furan-2-yl)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 D494-0355
N-[(furan-2-yl)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

D494-0355

Molecular Formula

C18H18N6O (C18 H18 N6 O)

Compound Name

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

IUPAC name

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

SMILES

CC(C)c1nc2nc(-c3cnccc3)nn2c(NCc2ccco2)c1

InChI

InChI=1S/C18H18N6O/c1-12(2)15-9-16(20-11-14-6-4-8-25-14)24-18(21-15)22-17(23-24)13-5-3-7-19-10-13/h3-10,12,20H,11H2,1-2H3

InChI Key

WOBGCPBTSRRFFK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27589379

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

334.38

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.073

Distribution Coefficient, logD

2.838

Water Solubility, LogSw

-3.02

Polar Surface Area

58.623

Acid Dissociation Constant (pKa)

15.46

Base Dissociation Constant (pKb)

7.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

D494-0355 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with D494-0355 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D494-0355?
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What is the minimum amount of D494-0355 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D494-0355
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D494-0355
  • 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 D494-0355 available by request