D413-0365 Screening compound: (2E)-3-(2-methoxyphenyl)-N-{5-methyl-7-phenyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}prop-2-enamide

D413-0365 Screening compound: (2E)-3-(2-methoxyphenyl)-N-{5-methyl-7-phenyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}prop-2-enamide
D413-0365 Screening compound: (2E)-3-(2-methoxyphenyl)-N-{5-methyl-7-phenyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}prop-2-enamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D413-0365
(2E)-3-(2-methoxyphenyl)-N-{5-methyl-7-phenyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}prop-2-enamide

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

D413-0365

Molecular Formula

C22H21N5O2 (C22 H21 N5 O2)

Compound Name

(2E)-3-(2-methoxyphenyl)-N-{5-methyl-7-phenyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}prop-2-enamide

IUPAC name

(2E)-3-(2-methoxyphenyl)-N-{5-methyl-7-phenyl-4H7H-[124]triazolo[15-a]pyrimidin-2-yl}prop-2-enamide

SMILES

CC1=CC(c2ccccc2)n2nc(NC(/C=C/c(cccc3)c3OC)=O)nc2N1

InChI

InChI=1S/C22H21N5O2/c1-15-14-18(16-8-4-3-5-9-16)27-22(23-15)25-21(26-27)24-20(28)13-12-17-10-6-7-11-19(17)29-2/h3-14,18H,1-2H3,(H2,23,24,25,26,28)/t18-/m0/s1

InChI Key

MKDAZBHUQJFYEN-SFHVURJKSA-N

MDL Number (MFCD)

MFCD03302899

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

387.44

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.439

Distribution Coefficient, logD

4.439

Water Solubility, LogSw

-4.44

Polar Surface Area

69.072

Acid Dissociation Constant (pKa)

10.99

Base Dissociation Constant (pKb)

-2.47

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

13.60

D413-0365 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

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

KRAS-Targeted Library (16000 compounds)

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases
Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with D413-0365 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D413-0365?
Check Price and Availability of D413-0365, 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 D413-0365 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D413-0365
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D413-0365
  • 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 D413-0365 available by request