C597-0380 Screening compound: 2-(1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-6-sulfonamido)-N-(3-fluorophenyl)-2-phenylacetamide

C597-0380 Screening compound: 2-(1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-6-sulfonamido)-N-(3-fluorophenyl)-2-phenylacetamide
C597-0380 Screening compound: 2-(1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-6-sulfonamido)-N-(3-fluorophenyl)-2-phenylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C597-0380
2-(1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-6-sulfonamido)-N-(3-fluorophenyl)-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

C597-0380

Molecular Formula

C24H21FN4O5S (C24 H21 FN4 O5 S)

Compound Name

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

IUPAC name

2-(13-dimethyl-24-dioxo-1234-tetrahydroquinazoline-6-sulfonamido)-N-(3-fluorophenyl)-2-phenylacetamide

SMILES

CN(c(ccc(S(NC(C(Nc1cc(F)ccc1)=O)c1ccccc1)(=O)=O)c1)c1C(N1C)=O)C1=O

InChI

InChI=1S/C24H21FN4O5S/c1-28-20-12-11-18(14-19(20)23(31)29(2)24(28)32)35(33,34)27-21(15-7-4-3-5-8-15)22(30)26-17-10-6-9-16(25)13-17/h3-14,21,27H,1-2H3,(H,26,30)/t21-/m1/s1

InChI Key

SDZMIZUXXRYOBF-OAQYLSRUSA-N

MDL Number (MFCD)

MFCD14774489

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

496.52

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

3.115

Distribution Coefficient, logD

3.109

Water Solubility, LogSw

-3.70

Polar Surface Area

95.756

Acid Dissociation Constant (pKa)

9.25

Base Dissociation Constant (pKb)

-1.23

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

12.50

C597-0380 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

Anticancer Library (62698 compounds)

Antiviral Annotated Library (21441 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:
  • Antiviral
  • Infections
  • Immune system
  • Cancer

References: we are preparing a list of scientific research reports with C597-0380 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C597-0380?
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What is the minimum amount of C597-0380 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C597-0380
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C597-0380
  • 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 C597-0380 available by request