C597-0744 Screening compound: 2-(N-methyl1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-6-sulfonamido)-N-[2-(3-methylphenyl)ethyl]acetamide

C597-0744 Screening compound: 2-(N-methyl1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-6-sulfonamido)-N-[2-(3-methylphenyl)ethyl]acetamide
C597-0744 Screening compound: 2-(N-methyl1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-6-sulfonamido)-N-[2-(3-methylphenyl)ethyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C597-0744
2-(N-methyl1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-6-sulfonamido)-N-[2-(3-methylphenyl)ethyl]acetamide

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

C597-0744

Molecular Formula

C22H26N4O5S (C22 H26 N4 O5 S)

Compound Name

2-(N-methyl1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-6-sulfonamido)-N-[2-(3-methylphenyl)ethyl]acetamide

IUPAC name

2-(N-methyl13-dimethyl-24-dioxo-1234-tetrahydroquinazoline-6-sulfonamido)-N-[2-(3-methylphenyl)ethyl]acetamide

SMILES

Cc1cccc(CCNC(CN(C)S(c(cc2)cc(C(N3C)=O)c2N(C)C3=O)(=O)=O)=O)c1

InChI

InChI=1S/C22H26N4O5S/c1-15-6-5-7-16(12-15)10-11-23-20(27)14-24(2)32(30,31)17-8-9-19-18(13-17)21(28)26(4)22(29)25(19)3/h5-9,12-13H,10-11,14H2,1-4H3,(H,23,27)

InChI Key

UWRCUHMTFRAZJA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14774646

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

458.54

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.902

Distribution Coefficient, logD

1.902

Water Solubility, LogSw

-2.92

Polar Surface Area

88.219

Acid Dissociation Constant (pKa)

13.69

Base Dissociation Constant (pKb)

-0.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.80

C597-0744 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool

References: we are preparing a list of scientific research reports with C597-0744 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C597-0744?
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What is the minimum amount of C597-0744 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C597-0744
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C597-0744
  • 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 C597-0744 available by request