D433-1671 Screening compound: ethyl 3-(2-{[(3-chlorophenyl)amino]methyl}-5-methyl-7-oxo-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoate

D433-1671 Screening compound: ethyl 3-(2-{[(3-chlorophenyl)amino]methyl}-5-methyl-7-oxo-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoate
D433-1671 Screening compound: ethyl 3-(2-{[(3-chlorophenyl)amino]methyl}-5-methyl-7-oxo-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound D433-1671
ethyl 3-(2-{[(3-chlorophenyl)amino]methyl}-5-methyl-7-oxo-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoate

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

D433-1671

Molecular Formula

C18H20ClN5O3 (C18 H20 ClN5 O3)

Compound Name

ethyl 3-(2-{[(3-chlorophenyl)amino]methyl}-5-methyl-7-oxo-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoate

IUPAC name

ethyl 3-(2-{[(3-chlorophenyl)amino]methyl}-5-methyl-7-oxo-4H7H-[124]triazolo[15-a]pyrimidin-6-yl)propanoate

SMILES

CCOC(CCC1=C(C)Nc2nc(CNc3cccc(Cl)c3)nn2C1=O)=O

InChI

InChI=1S/C18H20ClN5O3/c1-3-27-16(25)8-7-14-11(2)21-18-22-15(23-24(18)17(14)26)10-20-13-6-4-5-12(19)9-13/h4-6,9,20H,3,7-8,10H2,1-2H3,(H,21,22,23)

InChI Key

HTGROJUCNBTQKO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD13919645

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

389.84

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.933

Distribution Coefficient, logD

1.248

Water Solubility, LogSw

-3.53

Polar Surface Area

81.907

Acid Dissociation Constant (pKa)

5.72

Base Dissociation Constant (pKb)

-1.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

D433-1671 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 D433-1671 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D433-1671?
Check Price and Availability of D433-1671, 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 D433-1671 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D433-1671
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D433-1671
  • 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 D433-1671 available by request