D433-0716 Screening compound: N-({6-chloro-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}methyl)-4-fluoro-N-(4-methoxyphenyl)benzamide

D433-0716 Screening compound: N-({6-chloro-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}methyl)-4-fluoro-N-(4-methoxyphenyl)benzamide
D433-0716 Screening compound: N-({6-chloro-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}methyl)-4-fluoro-N-(4-methoxyphenyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D433-0716
N-({6-chloro-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}methyl)-4-fluoro-N-(4-methoxyphenyl)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

D433-0716

Molecular Formula

C22H19ClFN5O2 (C22 H19 ClFN5 O2)

Compound Name

N-({6-chloro-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}methyl)-4-fluoro-N-(4-methoxyphenyl)benzamide

IUPAC name

N-({6-chloro-57-dimethyl-[124]triazolo[15-a]pyrimidin-2-yl}methyl)-4-fluoro-N-(4-methoxyphenyl)benzamide

SMILES

Cc(n1nc(CN(C(c(cc2)ccc2F)=O)c(cc2)ccc2OC)nc1nc1C)c1Cl

InChI

InChI=1S/C22H19ClFN5O2/c1-13-20(23)14(2)29-22(25-13)26-19(27-29)12-28(17-8-10-18(31-3)11-9-17)21(30)15-4-6-16(24)7-5-15/h4-11H,12H2,1-3H3

InChI Key

OYRAIXJFMVOTKS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27585904

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

439.88

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.722

Distribution Coefficient, logD

3.722

Water Solubility, LogSw

-4.41

Polar Surface Area

55.261

Acid Dissociation Constant (pKa)

25.44

Base Dissociation Constant (pKb)

-0.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

D433-0716 in Drug Discovery

Included in Screening Libraries

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

Protein Kinases Inhibitors Library (36801 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 D433-0716 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D433-0716?
Check Price and Availability of D433-0716, 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 D433-0716 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D433-0716
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D433-0716
  • 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 D433-0716 available by request