C260-2388 Screening compound: 4-[(1-{[(2-nitrophenyl)carbamoyl]methyl}-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl)methyl]-N-(2-phenylethyl)cyclohexane-1-carboxamide

C260-2388 Screening compound: 4-[(1-{[(2-nitrophenyl)carbamoyl]methyl}-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl)methyl]-N-(2-phenylethyl)cyclohexane-1-carboxamide
C260-2388 Screening compound: 4-[(1-{[(2-nitrophenyl)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 C260-2388
4-[(1-{[(2-nitrophenyl)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

C260-2388

Molecular Formula

C32H33N5O6 (C32 H33 N5 O6)

Compound Name

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

IUPAC name

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

SMILES

[O-][N+](c(cccc1)c1NC(CN(c(cccc1)c1C(N1CC(CC2)CCC2C(NCCc2ccccc2)=O)=O)C1=O)=O)=O

InChI

InChI=1S/C32H33N5O6/c38-29(34-26-11-5-7-13-28(26)37(42)43)21-35-27-12-6-4-10-25(27)31(40)36(32(35)41)20-23-14-16-24(17-15-23)30(39)33-19-18-22-8-2-1-3-9-22/h1-13,23-24H,14-21H2,(H,33,39)(H,34,38)

InChI Key

XDTKOHMLVZABHG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14738577

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

583.64

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

4.393

Distribution Coefficient, logD

4.382

Water Solubility, LogSw

-4.57

Polar Surface Area

111.246

Acid Dissociation Constant (pKa)

8.99

Base Dissociation Constant (pKb)

-0.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.30

C260-2388 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

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

CORONAVIRUS Library (20774 compounds)

MCL1 Targeted Library (12200 compounds)

PLpro Library (6343 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
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with C260-2388 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C260-2388?
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What is the minimum amount of C260-2388 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C260-2388
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C260-2388
  • 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 C260-2388 available by request