C260-2794 Screening compound: N-[(2-chlorophenyl)methyl]-4-[(1-{[cyclohexyl(methyl)carbamoyl]methyl}-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl)methyl]benzamide

C260-2794 Screening compound: N-[(2-chlorophenyl)methyl]-4-[(1-{[cyclohexyl(methyl)carbamoyl]methyl}-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl)methyl]benzamide
C260-2794 Screening compound: N-[(2-chlorophenyl)methyl]-4-[(1-{[cyclohexyl(methyl)carbamoyl]methyl}-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl)methyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C260-2794
N-[(2-chlorophenyl)methyl]-4-[(1-{[cyclohexyl(methyl)carbamoyl]methyl}-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl)methyl]benzamide

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

C260-2794

Molecular Formula

C32H33ClN4O4 (C32 H33 ClN4 O4)

Compound Name

N-[(2-chlorophenyl)methyl]-4-[(1-{[cyclohexyl(methyl)carbamoyl]methyl}-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl)methyl]benzamide

IUPAC name

N-[(2-chlorophenyl)methyl]-4-[(1-{[cyclohexyl(methyl)carbamoyl]methyl}-24-dioxo-1234-tetrahydroquinazolin-3-yl)methyl]benzamide

SMILES

CN(C1CCCCC1)C(CN(c(cccc1)c1C(N1Cc(cc2)ccc2C(NCc(cccc2)c2Cl)=O)=O)C1=O)=O

InChI

InChI=1S/C32H33ClN4O4/c1-35(25-10-3-2-4-11-25)29(38)21-36-28-14-8-6-12-26(28)31(40)37(32(36)41)20-22-15-17-23(18-16-22)30(39)34-19-24-9-5-7-13-27(24)33/h5-9,12-18,25H,2-4,10-11,19-21H2,1H3,(H,34,39)

InChI Key

GQQYBOFGILZZSI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14738910

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

573.09

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.729

Distribution Coefficient, logD

4.729

Water Solubility, LogSw

-4.81

Polar Surface Area

70.626

Acid Dissociation Constant (pKa)

11.60

Base Dissociation Constant (pKb)

1.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.30

C260-2794 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

CORONAVIRUS Library (20774 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with C260-2794 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C260-2794?
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What is the minimum amount of C260-2794 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C260-2794
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C260-2794
  • 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 C260-2794 available by request