C260-2546 Screening compound: 4-[(1-{[(3-ethylphenyl)carbamoyl]methyl}-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl)methyl]-N-(2-phenylethyl)cyclohexane-1-carboxamide

C260-2546 Screening compound: 4-[(1-{[(3-ethylphenyl)carbamoyl]methyl}-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl)methyl]-N-(2-phenylethyl)cyclohexane-1-carboxamide
C260-2546 Screening compound: 4-[(1-{[(3-ethylphenyl)carbamoyl]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 C260-2546
4-[(1-{[(3-ethylphenyl)carbamoyl]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

C260-2546

Molecular Formula

C34H38N4O4 (C34 H38 N4 O4)

Compound Name

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

IUPAC name

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

SMILES

CCc1cccc(NC(CN(c(cccc2)c2C(N2CC(CC3)CCC3C(NCCc3ccccc3)=O)=O)C2=O)=O)c1

InChI

InChI=1S/C34H38N4O4/c1-2-24-11-8-12-28(21-24)36-31(39)23-37-30-14-7-6-13-29(30)33(41)38(34(37)42)22-26-15-17-27(18-16-26)32(40)35-20-19-25-9-4-3-5-10-25/h3-14,21,26-27H,2,15-20,22-23H2,1H3,(H,35,40)(H,36,39)

InChI Key

DLRNCZQGQGMTOU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14738706

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

566.7

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.437

Distribution Coefficient, logD

5.437

Water Solubility, LogSw

-5.42

Polar Surface Area

78.863

Acid Dissociation Constant (pKa)

13.05

Base Dissociation Constant (pKb)

0.97

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.30

C260-2546 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Annotated Library (21441 compounds)

CORONAVIRUS Library (20774 compounds)

MCL1 Targeted Library (12200 compounds)

PLpro Library (6343 compounds)

Anti-HIV1 Library (19540 compounds)

Antibacterial Compounds Library (13827 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
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with C260-2546 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C260-2546?
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What is the minimum amount of C260-2546 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C260-2546
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C260-2546
  • 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 C260-2546 available by request