C260-2374 Screening compound: 4-({1-[(3-fluorophenyl)methyl]-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl}methyl)-N-(2-phenylethyl)cyclohexane-1-carboxamide

C260-2374 Screening compound: 4-({1-[(3-fluorophenyl)methyl]-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl}methyl)-N-(2-phenylethyl)cyclohexane-1-carboxamide
C260-2374 Screening compound: 4-({1-[(3-fluorophenyl)methyl]-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl}methyl)-N-(2-phenylethyl)cyclohexane-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C260-2374
4-({1-[(3-fluorophenyl)methyl]-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl}methyl)-N-(2-phenylethyl)cyclohexane-1-carboxamide

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

C260-2374

Molecular Formula

C31H32FN3O3 (C31 H32 FN3 O3)

Compound Name

4-({1-[(3-fluorophenyl)methyl]-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl}methyl)-N-(2-phenylethyl)cyclohexane-1-carboxamide

IUPAC name

4-({1-[(3-fluorophenyl)methyl]-24-dioxo-1234-tetrahydroquinazolin-3-yl}methyl)-N-(2-phenylethyl)cyclohexane-1-carboxamide

SMILES

O=C(C1CCC(CN(C(c(cccc2)c2N2Cc3cccc(F)c3)=O)C2=O)CC1)NCCc1ccccc1

InChI

InChI=1S/C31H32FN3O3/c32-26-10-6-9-24(19-26)21-34-28-12-5-4-11-27(28)30(37)35(31(34)38)20-23-13-15-25(16-14-23)29(36)33-18-17-22-7-2-1-3-8-22/h1-12,19,23,25H,13-18,20-21H2,(H,33,36)

InChI Key

WMMBPISPWOEFLW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05718169

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

513.61

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.363

Distribution Coefficient, logD

5.363

Water Solubility, LogSw

-5.75

Polar Surface Area

55.714

Acid Dissociation Constant (pKa)

13.94

Base Dissociation Constant (pKb)

-0.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

32.30

C260-2374 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

CORONAVIRUS Library (20774 compounds)

MCL1 Targeted Library (12200 compounds)

PLpro Library (6343 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with C260-2374 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C260-2374?
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What is the minimum amount of C260-2374 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C260-2374
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C260-2374
  • 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 C260-2374 available by request