C597-0397 Screening compound: 2-(1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-6-sulfonamido)-N-(2-methylphenyl)-2-phenylacetamide

C597-0397 Screening compound: 2-(1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-6-sulfonamido)-N-(2-methylphenyl)-2-phenylacetamide
C597-0397 Screening compound: 2-(1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-6-sulfonamido)-N-(2-methylphenyl)-2-phenylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C597-0397
2-(1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-6-sulfonamido)-N-(2-methylphenyl)-2-phenylacetamide

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

C597-0397

Molecular Formula

C25H24N4O5S (C25 H24 N4 O5 S)

Compound Name

2-(1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-6-sulfonamido)-N-(2-methylphenyl)-2-phenylacetamide

IUPAC name

2-(13-dimethyl-24-dioxo-1234-tetrahydroquinazoline-6-sulfonamido)-N-(2-methylphenyl)-2-phenylacetamide

SMILES

Cc(cccc1)c1NC(C(c1ccccc1)NS(c(cc1)cc(C(N2C)=O)c1N(C)C2=O)(=O)=O)=O

InChI

InChI=1S/C25H24N4O5S/c1-16-9-7-8-12-20(16)26-23(30)22(17-10-5-4-6-11-17)27-35(33,34)18-13-14-21-19(15-18)24(31)29(3)25(32)28(21)2/h4-15,22,27H,1-3H3,(H,26,30)/t22-/m1/s1

InChI Key

MQSIWKDZLOCOOP-JOCHJYFZSA-N

MDL Number (MFCD)

MFCD14774498

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

492.56

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.055

Distribution Coefficient, logD

3.049

Water Solubility, LogSw

-3.61

Polar Surface Area

95.059

Acid Dissociation Constant (pKa)

9.25

Base Dissociation Constant (pKb)

-0.43

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

16.00

C597-0397 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)

MCE-18 Trends in Medicinal Chemistry (51288 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 C597-0397 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C597-0397?
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What is the minimum amount of C597-0397 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C597-0397
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C597-0397
  • 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 C597-0397 available by request