D433-0598 Screening compound: N-benzyl-N-({5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}methyl)-4-methylbenzene-1-sulfonamide

D433-0598 Screening compound: N-benzyl-N-({5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}methyl)-4-methylbenzene-1-sulfonamide
D433-0598 Screening compound: N-benzyl-N-({5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}methyl)-4-methylbenzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D433-0598
N-benzyl-N-({5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}methyl)-4-methylbenzene-1-sulfonamide

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

D433-0598

Molecular Formula

C22H23N5O2S (C22 H23 N5 O2 S)

Compound Name

N-benzyl-N-({5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}methyl)-4-methylbenzene-1-sulfonamide

IUPAC name

N-benzyl-N-({57-dimethyl-[124]triazolo[15-a]pyrimidin-2-yl}methyl)-4-methylbenzene-1-sulfonamide

SMILES

Cc(cc1)ccc1S(N(Cc1nn2c(C)cc(C)nc2n1)Cc1ccccc1)(=O)=O

InChI

InChI=1S/C22H23N5O2S/c1-16-9-11-20(12-10-16)30(28,29)26(14-19-7-5-4-6-8-19)15-21-24-22-23-17(2)13-18(3)27(22)25-21/h4-13H,14-15H2,1-3H3

InChI Key

MQLLTJJQYWBYFW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14828794

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

421.52

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.371

Distribution Coefficient, logD

3.371

Water Solubility, LogSw

-3.56

Polar Surface Area

62.924

Acid Dissociation Constant (pKa)

25.44

Base Dissociation Constant (pKb)

2.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

D433-0598 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

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:
  • Infections
  • Immune system
  • animal
  • Antiviral
  • Infections
  • Immune system
Agro:
  • Agro

References: we are preparing a list of scientific research reports with D433-0598 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D433-0598?
Check Price and Availability of D433-0598, 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 D433-0598 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D433-0598
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D433-0598
  • 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 D433-0598 available by request