C597-0327 Screening compound: 2-(1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-6-sulfonamido)-N-[(furan-2-yl)methyl]-3-phenylpropanamide

C597-0327 Screening compound: 2-(1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-6-sulfonamido)-N-[(furan-2-yl)methyl]-3-phenylpropanamide
C597-0327 Screening compound: 2-(1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-6-sulfonamido)-N-[(furan-2-yl)methyl]-3-phenylpropanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C597-0327
2-(1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-6-sulfonamido)-N-[(furan-2-yl)methyl]-3-phenylpropanamide

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

C597-0327

Molecular Formula

C24H24N4O6S (C24 H24 N4 O6 S)

Compound Name

2-(1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-6-sulfonamido)-N-[(furan-2-yl)methyl]-3-phenylpropanamide

IUPAC name

2-(13-dimethyl-24-dioxo-1234-tetrahydroquinazoline-6-sulfonamido)-N-[(furan-2-yl)methyl]-3-phenylpropanamide

SMILES

CN(c(ccc(S(NC(Cc1ccccc1)C(NCc1ccco1)=O)(=O)=O)c1)c1C(N1C)=O)C1=O

InChI

InChI=1S/C24H24N4O6S/c1-27-21-11-10-18(14-19(21)23(30)28(2)24(27)31)35(32,33)26-20(13-16-7-4-3-5-8-16)22(29)25-15-17-9-6-12-34-17/h3-12,14,20,26H,13,15H2,1-2H3,(H,25,29)/t20-/m0/s1

InChI Key

QJPSWHDBQJKCHN-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD14774468

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

496.54

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.552

Distribution Coefficient, logD

2.551

Water Solubility, LogSw

-3.28

Polar Surface Area

105.106

Acid Dissociation Constant (pKa)

10.16

Base Dissociation Constant (pKb)

-3.18

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.80

C597-0327 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 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 C597-0327 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C597-0327?
Check Price and Availability of C597-0327, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of C597-0327 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C597-0327
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C597-0327
  • 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 C597-0327 available by request