D433-0453 Screening compound: N-(2-chlorophenyl)-N-({5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}methyl)butanamide

D433-0453 Screening compound: N-(2-chlorophenyl)-N-({5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}methyl)butanamide
D433-0453 Screening compound: N-(2-chlorophenyl)-N-({5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}methyl)butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D433-0453
N-(2-chlorophenyl)-N-({5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}methyl)butanamide

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

D433-0453

Molecular Formula

C18H20ClN5O (C18 H20 ClN5 O)

Compound Name

N-(2-chlorophenyl)-N-({5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}methyl)butanamide

IUPAC name

N-(2-chlorophenyl)-N-({57-dimethyl-[124]triazolo[15-a]pyrimidin-2-yl}methyl)butanamide

SMILES

CCCC(N(Cc1nn2c(C)cc(C)nc2n1)c(cccc1)c1Cl)=O

InChI

InChI=1S/C18H20ClN5O/c1-4-7-17(25)23(15-9-6-5-8-14(15)19)11-16-21-18-20-12(2)10-13(3)24(18)22-16/h5-6,8-10H,4,7,11H2,1-3H3

InChI Key

DYDYWSPGMBKPEF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27585849

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

357.84

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.217

Distribution Coefficient, logD

3.217

Water Solubility, LogSw

-3.45

Polar Surface Area

46.614

Acid Dissociation Constant (pKa)

22.06

Base Dissociation Constant (pKb)

1.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

D433-0453 in Drug Discovery

Included in Screening Libraries

Protein Kinases Inhibitors Library (36801 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with D433-0453 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D433-0453?
Check Price and Availability of D433-0453, 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 D433-0453 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D433-0453
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D433-0453
  • 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 D433-0453 available by request