D433-0149 Screening compound: 4-chloro-N-({5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}methyl)-N-(4-fluorophenyl)benzene-1-sulfonamide

D433-0149 Screening compound: 4-chloro-N-({5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}methyl)-N-(4-fluorophenyl)benzene-1-sulfonamide
D433-0149 Screening compound: 4-chloro-N-({5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}methyl)-N-(4-fluorophenyl)benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D433-0149
4-chloro-N-({5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}methyl)-N-(4-fluorophenyl)benzene-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

D433-0149

Molecular Formula

C20H17ClFN5O2S (C20 H17 ClFN5 O2 S)

Compound Name

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

IUPAC name

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

SMILES

Cc1cc(C)nc2nc(CN(c(cc3)ccc3F)S(c(cc3)ccc3Cl)(=O)=O)nn12

InChI

InChI=1S/C20H17ClFN5O2S/c1-13-11-14(2)27-20(23-13)24-19(25-27)12-26(17-7-5-16(22)6-8-17)30(28,29)18-9-3-15(21)4-10-18/h3-11H,12H2,1-2H3

InChI Key

SCFOUVBTSIVZMY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14828777

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

445.9

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.461

Distribution Coefficient, logD

3.461

Water Solubility, LogSw

-3.86

Polar Surface Area

63.374

Acid Dissociation Constant (pKa)

25.44

Base Dissociation Constant (pKb)

1.77

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

D433-0149 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Antiviral Library (67538 compounds)

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

Targeted Diversity Library (40567 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Antiviral
  • Infections
  • Immune system
Agro:
  • Agro

References: we are preparing a list of scientific research reports with D433-0149 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D433-0149?
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What is the minimum amount of D433-0149 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D433-0149
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D433-0149
  • 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 D433-0149 available by request