C260-2801 Screening compound: 3-(1-{[(4-methylphenyl)carbamoyl]methyl}-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl)-N-(2-phenylethyl)propanamide

C260-2801 Screening compound: 3-(1-{[(4-methylphenyl)carbamoyl]methyl}-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl)-N-(2-phenylethyl)propanamide
C260-2801 Screening compound: 3-(1-{[(4-methylphenyl)carbamoyl]methyl}-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl)-N-(2-phenylethyl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C260-2801
3-(1-{[(4-methylphenyl)carbamoyl]methyl}-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl)-N-(2-phenylethyl)propanamide

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

C260-2801

Molecular Formula

C28H28N4O4 (C28 H28 N4 O4)

Compound Name

3-(1-{[(4-methylphenyl)carbamoyl]methyl}-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl)-N-(2-phenylethyl)propanamide

IUPAC name

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

SMILES

Cc(cc1)ccc1NC(CN(c(cccc1)c1C(N1CCC(NCCc2ccccc2)=O)=O)C1=O)=O

InChI

InChI=1S/C28H28N4O4/c1-20-11-13-22(14-12-20)30-26(34)19-32-24-10-6-5-9-23(24)27(35)31(28(32)36)18-16-25(33)29-17-15-21-7-3-2-4-8-21/h2-14H,15-19H2,1H3,(H,29,33)(H,30,34)

InChI Key

NPCVNQRZAXDOOC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14738916

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

484.55

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.116

Distribution Coefficient, logD

3.116

Water Solubility, LogSw

-3.59

Polar Surface Area

78.708

Acid Dissociation Constant (pKa)

12.72

Base Dissociation Constant (pKb)

3.47

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.40

C260-2801 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C260-2801 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C260-2801?
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What is the minimum amount of C260-2801 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C260-2801
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C260-2801
  • 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 C260-2801 available by request