L596-0035 Screening compound: N-(4-chloro-2-methylphenyl)-1-methyl-2,4-dioxo-3-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-1,2,3,4-tetrahydroquinazoline-6-sulfonamide

L596-0035 Screening compound: N-(4-chloro-2-methylphenyl)-1-methyl-2,4-dioxo-3-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-1,2,3,4-tetrahydroquinazoline-6-sulfonamide
L596-0035 Screening compound: N-(4-chloro-2-methylphenyl)-1-methyl-2,4-dioxo-3-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-1,2,3,4-tetrahydroquinazoline-6-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L596-0035
N-(4-chloro-2-methylphenyl)-1-methyl-2,4-dioxo-3-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-1,2,3,4-tetrahydroquinazoline-6-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

L596-0035

Molecular Formula

C22H23ClN4O5S (C22 H23 ClN4 O5 S)

Compound Name

N-(4-chloro-2-methylphenyl)-1-methyl-2,4-dioxo-3-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-1,2,3,4-tetrahydroquinazoline-6-sulfonamide

IUPAC name

N-(4-chloro-2-methylphenyl)-1-methyl-24-dioxo-3-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-1234-tetrahydroquinazoline-6-sulfonamide

SMILES

Cc(cc(cc1)Cl)c1NS(c(cc1)cc(C(N2CC(N3CCCC3)=O)=O)c1N(C)C2=O)(=O)=O

InChI

InChI=1S/C22H23ClN4O5S/c1-14-11-15(23)5-7-18(14)24-33(31,32)16-6-8-19-17(12-16)21(29)27(22(30)25(19)2)13-20(28)26-9-3-4-10-26/h5-8,11-12,24H,3-4,9-10,13H2,1-2H3

InChI Key

JVMOZMBYTIXHOJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27464413

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

490.97

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.815

Distribution Coefficient, logD

2.594

Water Solubility, LogSw

-3.66

Polar Surface Area

88.014

Acid Dissociation Constant (pKa)

7.58

Base Dissociation Constant (pKb)

-0.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.80

L596-0035 in Drug Discovery

Included in Screening Libraries

Protein Kinases Inhibitors Library (36801 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with L596-0035 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L596-0035?
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What is the minimum amount of L596-0035 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L596-0035
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L596-0035
  • 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 L596-0035 available by request