D433-1099 Screening compound: 4-chloro-N-(4-ethoxyphenyl)-N-({5-methyl-7-oxo-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}methyl)benzene-1-sulfonamide

D433-1099 Screening compound: 4-chloro-N-(4-ethoxyphenyl)-N-({5-methyl-7-oxo-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}methyl)benzene-1-sulfonamide
D433-1099 Screening compound: 4-chloro-N-(4-ethoxyphenyl)-N-({5-methyl-7-oxo-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}methyl)benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D433-1099
4-chloro-N-(4-ethoxyphenyl)-N-({5-methyl-7-oxo-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}methyl)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

D433-1099

Molecular Formula

C21H20ClN5O4S (C21 H20 ClN5 O4 S)

Compound Name

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

IUPAC name

4-chloro-N-(4-ethoxyphenyl)-N-({5-methyl-7-oxo-4H7H-[124]triazolo[15-a]pyrimidin-2-yl}methyl)benzene-1-sulfonamide

SMILES

CCOc(cc1)ccc1N(Cc(nc1NC(C)=C2)nn1C2=O)S(c(cc1)ccc1Cl)(=O)=O

InChI

InChI=1S/C21H20ClN5O4S/c1-3-31-17-8-6-16(7-9-17)26(32(29,30)18-10-4-15(22)5-11-18)13-19-24-21-23-14(2)12-20(28)27(21)25-19/h4-12H,3,13H2,1-2H3,(H,23,24,25)

InChI Key

TTWTZNHBQNACRV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14828870

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

473.94

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.287

Distribution Coefficient, logD

0.900

Water Solubility, LogSw

-3.78

Polar Surface Area

90.673

Acid Dissociation Constant (pKa)

5.01

Base Dissociation Constant (pKb)

-1.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

D433-1099 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 D433-1099 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D433-1099?
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What is the minimum amount of D433-1099 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D433-1099
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D433-1099
  • 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 D433-1099 available by request