D433-1046 Screening compound: N-({5-methyl-7-oxo-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}methyl)-N-(3-methylphenyl)methanesulfonamide

D433-1046 Screening compound: N-({5-methyl-7-oxo-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}methyl)-N-(3-methylphenyl)methanesulfonamide
D433-1046 Screening compound: N-({5-methyl-7-oxo-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}methyl)-N-(3-methylphenyl)methanesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D433-1046
N-({5-methyl-7-oxo-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}methyl)-N-(3-methylphenyl)methanesulfonamide

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

D433-1046

Molecular Formula

C15H17N5O3S (C15 H17 N5 O3 S)

Compound Name

N-({5-methyl-7-oxo-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}methyl)-N-(3-methylphenyl)methanesulfonamide

IUPAC name

N-({5-methyl-7-oxo-4H7H-[124]triazolo[15-a]pyrimidin-2-yl}methyl)-N-(3-methylphenyl)methanesulfonamide

SMILES

Cc1cccc(N(Cc(nc2NC(C)=C3)nn2C3=O)S(C)(=O)=O)c1

InChI

InChI=1S/C15H17N5O3S/c1-10-5-4-6-12(7-10)19(24(3,22)23)9-13-17-15-16-11(2)8-14(21)20(15)18-13/h4-8H,9H2,1-3H3,(H,16,17,18)

InChI Key

ANBRNSPEFVKCQQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14828863

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

347.4

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.155

Distribution Coefficient, logD

-1.233

Water Solubility, LogSw

-2.45

Polar Surface Area

83.313

Acid Dissociation Constant (pKa)

5.01

Base Dissociation Constant (pKb)

-1.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.70

D433-1046 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with D433-1046 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D433-1046?
Check Price and Availability of D433-1046, 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 D433-1046 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D433-1046
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D433-1046
  • 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 D433-1046 available by request