D351-0013 Screening compound: 2-phenyl-5-[(pyrrolidin-1-yl)methyl]-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

D351-0013 Screening compound: 2-phenyl-5-[(pyrrolidin-1-yl)methyl]-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
D351-0013 Screening compound: 2-phenyl-5-[(pyrrolidin-1-yl)methyl]-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D351-0013
2-phenyl-5-[(pyrrolidin-1-yl)methyl]-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

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

D351-0013

Molecular Formula

C16H17N5O (C16 H17 N5 O)

Compound Name

2-phenyl-5-[(pyrrolidin-1-yl)methyl]-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

IUPAC name

2-phenyl-5-[(pyrrolidin-1-yl)methyl]-4H7H-[124]triazolo[15-a]pyrimidin-7-one

SMILES

O=C1n2nc(-c3ccccc3)nc2NC(CN2CCCC2)=C1

InChI

InChI=1S/C16H17N5O/c22-14-10-13(11-20-8-4-5-9-20)17-16-18-15(19-21(14)16)12-6-2-1-3-7-12/h1-3,6-7,10H,4-5,8-9,11H2,(H,17,18,19)

InChI Key

ZUNPFYWFZLRDPC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27580743

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

295.34

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.903

Distribution Coefficient, logD

0.437

Water Solubility, LogSw

-2.50

Polar Surface Area

55.439

Acid Dissociation Constant (pKa)

6.63

Base Dissociation Constant (pKb)

9.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.30

D351-0013 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Fragments Library (11262 compounds)

SmartTM Library (51161 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
Structure:
  • Fragments

References: we are preparing a list of scientific research reports with D351-0013 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D351-0013?
Check Price and Availability of D351-0013, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of D351-0013 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D351-0013
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D351-0013
  • 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 D351-0013 available by request