5454-0295 Screening compound: 4-methoxy-N-{5-methyl-7-phenyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}benzamide

5454-0295 Screening compound: 4-methoxy-N-{5-methyl-7-phenyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}benzamide
5454-0295 Screening compound: 4-methoxy-N-{5-methyl-7-phenyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 5454-0295
4-methoxy-N-{5-methyl-7-phenyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}benzamide

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

5454-0295

Molecular Formula

C20H19N5O2 (C20 H19 N5 O2)

Compound Name

4-methoxy-N-{5-methyl-7-phenyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}benzamide

IUPAC name

4-methoxy-N-{5-methyl-7-phenyl-4H7H-[124]triazolo[15-a]pyrimidin-2-yl}benzamide

SMILES

CC1=CC(c2ccccc2)n2nc(NC(c(cc3)ccc3OC)=O)nc2N1

InChI

InChI=1S/C20H19N5O2/c1-13-12-17(14-6-4-3-5-7-14)25-20(21-13)23-19(24-25)22-18(26)15-8-10-16(27-2)11-9-15/h3-12,17H,1-2H3,(H2,21,22,23,24,26)/t17-/m0/s1

InChI Key

DEEROTSPEVGSRY-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD03305133

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

361.4

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.533

Distribution Coefficient, logD

3.530

Water Solubility, LogSw

-3.64

Polar Surface Area

69.199

Acid Dissociation Constant (pKa)

9.53

Base Dissociation Constant (pKb)

-1.04

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

15.00

5454-0295 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

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

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Type II Kinase Inhibitors Library (6956 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Endocrine
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 5454-0295 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5454-0295?
Check Price and Availability of 5454-0295, 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 5454-0295 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5454-0295
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5454-0295
  • 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 5454-0295 available by request