D412-0002 Screening compound: 2-(benzylamino)-5-[(propylamino)methyl]-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

D412-0002 Screening compound: 2-(benzylamino)-5-[(propylamino)methyl]-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
D412-0002 Screening compound: 2-(benzylamino)-5-[(propylamino)methyl]-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D412-0002
2-(benzylamino)-5-[(propylamino)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

D412-0002

Molecular Formula

C16H20N6O (C16 H20 N6 O)

Compound Name

2-(benzylamino)-5-[(propylamino)methyl]-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

IUPAC name

2-(benzylamino)-5-[(propylamino)methyl]-4H7H-[124]triazolo[15-a]pyrimidin-7-one

SMILES

CCCNCC(Nc1nc(NCc2ccccc2)nn11)=CC1=O

InChI

InChI=1S/C16H20N6O/c1-2-8-17-11-13-9-14(23)22-16(19-13)20-15(21-22)18-10-12-6-4-3-5-7-12/h3-7,9,17H,2,8,10-11H2,1H3,(H2,18,19,20,21)

InChI Key

MNTVOAAFIGXMBG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27584528

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

312.37

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.562

Distribution Coefficient, logD

-0.322

Water Solubility, LogSw

-1.88

Polar Surface Area

74.860

Acid Dissociation Constant (pKa)

6.63

Base Dissociation Constant (pKb)

9.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.30

D412-0002 in Drug Discovery

Included in Screening Libraries

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D412-0002 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D412-0002?
Check Price and Availability of D412-0002, 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 D412-0002 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D412-0002
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D412-0002
  • 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 D412-0002 available by request