D433-0841 Screening compound: 2,2-dimethyl-N-({5-methyl-7-oxo-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}methyl)-N-phenylpropanamide

D433-0841 Screening compound: 2,2-dimethyl-N-({5-methyl-7-oxo-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}methyl)-N-phenylpropanamide
D433-0841 Screening compound: 2,2-dimethyl-N-({5-methyl-7-oxo-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}methyl)-N-phenylpropanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D433-0841
2,2-dimethyl-N-({5-methyl-7-oxo-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}methyl)-N-phenylpropanamide

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

D433-0841

Molecular Formula

C18H21N5O2 (C18 H21 N5 O2)

Compound Name

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

IUPAC name

22-dimethyl-N-({5-methyl-7-oxo-4H7H-[124]triazolo[15-a]pyrimidin-2-yl}methyl)-N-phenylpropanamide

SMILES

CC(C)(C)C(N(Cc(nc1NC(C)=C2)nn1C2=O)c1ccccc1)=O

InChI

InChI=1S/C18H21N5O2/c1-12-10-15(24)23-17(19-12)20-14(21-23)11-22(16(25)18(2,3)4)13-8-6-5-7-9-13/h5-10H,11H2,1-4H3,(H,19,20,21)

InChI Key

LIUJYTMDABYJQB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14828837

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

339.4

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.194

Distribution Coefficient, logD

-0.459

Water Solubility, LogSw

-2.77

Polar Surface Area

67.618

Acid Dissociation Constant (pKa)

4.75

Base Dissociation Constant (pKb)

-1.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

D433-0841 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

KRAS-Targeted Library (16000 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with D433-0841 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D433-0841?
Check Price and Availability of D433-0841, 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 D433-0841 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D433-0841
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D433-0841
  • 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 D433-0841 available by request