D433-0991 Screening compound: N-(4-chlorophenyl)-2,2-dimethyl-N-({5-methyl-7-oxo-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}methyl)propanamide

D433-0991 Screening compound: N-(4-chlorophenyl)-2,2-dimethyl-N-({5-methyl-7-oxo-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}methyl)propanamide
D433-0991 Screening compound: N-(4-chlorophenyl)-2,2-dimethyl-N-({5-methyl-7-oxo-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}methyl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D433-0991
N-(4-chlorophenyl)-2,2-dimethyl-N-({5-methyl-7-oxo-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}methyl)propanamide

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

D433-0991

Molecular Formula

C18H20ClN5O2 (C18 H20 ClN5 O2)

Compound Name

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

IUPAC name

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

SMILES

CC(C)(C)C(N(Cc(nc1NC(C)=C2)nn1C2=O)c(cc1)ccc1Cl)=O

InChI

InChI=1S/C18H20ClN5O2/c1-11-9-15(25)24-17(20-11)21-14(22-24)10-23(16(26)18(2,3)4)13-7-5-12(19)6-8-13/h5-9H,10H2,1-4H3,(H,20,21,22)

InChI Key

KBOIPKPXYMDBGP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27585976

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

373.84

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

2.910

Distribution Coefficient, logD

0.258

Water Solubility, LogSw

-3.51

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

D433-0991 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Targeted Diversity Library (40567 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with D433-0991 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D433-0991?
Check Price and Availability of D433-0991, 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 D433-0991 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D433-0991
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D433-0991
  • 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 D433-0991 available by request