D245-0548 Screening compound: 1-[4-({2-benzyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl}amino)phenyl]ethan-1-one

D245-0548 Screening compound: 1-[4-({2-benzyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl}amino)phenyl]ethan-1-one
D245-0548 Screening compound: 1-[4-({2-benzyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl}amino)phenyl]ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D245-0548
1-[4-({2-benzyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl}amino)phenyl]ethan-1-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

D245-0548

Molecular Formula

C21H19N5O (C21 H19 N5 O)

Compound Name

1-[4-({2-benzyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl}amino)phenyl]ethan-1-one

IUPAC name

1-[4-({2-benzyl-5-methyl-[124]triazolo[15-a]pyrimidin-7-yl}amino)phenyl]ethan-1-one

SMILES

CC(c(cc1)ccc1Nc1cc(C)nc2nc(Cc3ccccc3)nn12)=O

InChI

InChI=1S/C21H19N5O/c1-14-12-20(23-18-10-8-17(9-11-18)15(2)27)26-21(22-14)24-19(25-26)13-16-6-4-3-5-7-16/h3-12,23H,13H2,1-2H3

InChI Key

IWTKJSDWHLLWMR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14815426

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

357.41

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.423

Distribution Coefficient, logD

3.419

Water Solubility, LogSw

-3.66

Polar Surface Area

54.657

Acid Dissociation Constant (pKa)

14.49

Base Dissociation Constant (pKb)

5.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

D245-0548 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with D245-0548 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D245-0548?
Check Price and Availability of D245-0548, 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 D245-0548 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D245-0548
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D245-0548
  • 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 D245-0548 available by request