D043-0122 Screening compound: 6-benzyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-ol

D043-0122 Screening compound: 6-benzyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-ol
D043-0122 Screening compound: 6-benzyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound D043-0122
6-benzyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-ol

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

D043-0122

Molecular Formula

C13H12N4O (C13 H12 N4 O)

Compound Name

6-benzyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-ol

IUPAC name

6-benzyl-5-methyl-[124]triazolo[15-a]pyrimidin-7-ol

SMILES

Cc1nc2ncnn2c(O)c1Cc1ccccc1

InChI

InChI=1S/C13H12N4O/c1-9-11(7-10-5-3-2-4-6-10)12(18)17-13(16-9)14-8-15-17/h2-6,8,18H,7H2,1H3

InChI Key

ASTFQNJGYHVFOL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01873241

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

240.26

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.562

Distribution Coefficient, logD

0.041

Water Solubility, LogSw

-0.95

Polar Surface Area

47.477

Acid Dissociation Constant (pKa)

5.89

Base Dissociation Constant (pKb)

3.80

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.38

D043-0122 in Drug Discovery

Included in Screening Libraries

Fragments Library (11262 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Structure:
  • Fragments

References: we are preparing a list of scientific research reports with D043-0122 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D043-0122?
Check Price and Availability of D043-0122, 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 D043-0122 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D043-0122
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D043-0122
  • 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 D043-0122 available by request