C597-0530 Screening compound: N-{2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl}-N,1,3-trimethyl-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-6-sulfonamide

C597-0530 Screening compound: N-{2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl}-N,1,3-trimethyl-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-6-sulfonamide
C597-0530 Screening compound: N-{2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl}-N,1,3-trimethyl-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-6-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C597-0530
N-{2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl}-N,1,3-trimethyl-2,4-dioxo-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

C597-0530

Molecular Formula

C23H26ClN5O5S (C23 H26 ClN5 O5 S)

Compound Name

N-{2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl}-N,1,3-trimethyl-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-6-sulfonamide

IUPAC name

N-{2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl}-N13-trimethyl-24-dioxo-1234-tetrahydroquinazoline-6-sulfonamide

SMILES

CN(CC(N(CC1)CCN1c(cc1)ccc1Cl)=O)S(c(cc1)cc(C(N2C)=O)c1N(C)C2=O)(=O)=O

InChI

InChI=1S/C23H26ClN5O5S/c1-25(15-21(30)29-12-10-28(11-13-29)17-6-4-16(24)5-7-17)35(33,34)18-8-9-20-19(14-18)22(31)27(3)23(32)26(20)2/h4-9,14H,10-13,15H2,1-3H3

InChI Key

ZWTRDYGSEGAMLJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14774536

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

520.01

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.260

Distribution Coefficient, logD

2.260

Water Solubility, LogSw

-3.35

Polar Surface Area

83.558

Acid Dissociation Constant (pKa)

23.00

Base Dissociation Constant (pKb)

2.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.80

C597-0530 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Anti-Inflammatory Library (24602 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with C597-0530 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C597-0530?
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What is the minimum amount of C597-0530 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C597-0530
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C597-0530
  • 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 C597-0530 available by request