C260-2538 Screening compound: 4-[(1-{[(2-methoxyphenyl)carbamoyl]methyl}-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl)methyl]-N-(2-phenylethyl)cyclohexane-1-carboxamide

C260-2538 Screening compound: 4-[(1-{[(2-methoxyphenyl)carbamoyl]methyl}-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl)methyl]-N-(2-phenylethyl)cyclohexane-1-carboxamide
C260-2538 Screening compound: 4-[(1-{[(2-methoxyphenyl)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 C260-2538
4-[(1-{[(2-methoxyphenyl)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

C260-2538

Molecular Formula

C33H36N4O5 (C33 H36 N4 O5)

Compound Name

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

IUPAC name

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

SMILES

COc(cccc1)c1NC(CN(c(cccc1)c1C(N1CC(CC2)CCC2C(NCCc2ccccc2)=O)=O)C1=O)=O

InChI

InChI=1S/C33H36N4O5/c1-42-29-14-8-6-12-27(29)35-30(38)22-36-28-13-7-5-11-26(28)32(40)37(33(36)41)21-24-15-17-25(18-16-24)31(39)34-20-19-23-9-3-2-4-10-23/h2-14,24-25H,15-22H2,1H3,(H,34,39)(H,35,38)

InChI Key

DUWBAFGUGUEKJW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14738699

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

568.67

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.400

Distribution Coefficient, logD

4.400

Water Solubility, LogSw

-4.48

Polar Surface Area

85.796

Acid Dissociation Constant (pKa)

11.40

Base Dissociation Constant (pKb)

2.97

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

C260-2538 in Drug Discovery

Included in Screening Libraries

CORONAVIRUS Library (20774 compounds)

PLpro Library (6343 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with C260-2538 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C260-2538?
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What is the minimum amount of C260-2538 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C260-2538
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C260-2538
  • 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 C260-2538 available by request