C260-1957 Screening compound: 4-(1-{[(2-ethoxyphenyl)carbamoyl]methyl}-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl)-N-[2-(4-methylphenyl)ethyl]butanamide

C260-1957 Screening compound: 4-(1-{[(2-ethoxyphenyl)carbamoyl]methyl}-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl)-N-[2-(4-methylphenyl)ethyl]butanamide
C260-1957 Screening compound: 4-(1-{[(2-ethoxyphenyl)carbamoyl]methyl}-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl)-N-[2-(4-methylphenyl)ethyl]butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C260-1957
4-(1-{[(2-ethoxyphenyl)carbamoyl]methyl}-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl)-N-[2-(4-methylphenyl)ethyl]butanamide

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

C260-1957

Molecular Formula

C31H34N4O5 (C31 H34 N4 O5)

Compound Name

4-(1-{[(2-ethoxyphenyl)carbamoyl]methyl}-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl)-N-[2-(4-methylphenyl)ethyl]butanamide

IUPAC name

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

SMILES

CCOc(cccc1)c1NC(CN(c(cccc1)c1C(N1CCCC(NCCc2ccc(C)cc2)=O)=O)C1=O)=O

InChI

InChI=1S/C31H34N4O5/c1-3-40-27-12-7-5-10-25(27)33-29(37)21-35-26-11-6-4-9-24(26)30(38)34(31(35)39)20-8-13-28(36)32-19-18-23-16-14-22(2)15-17-23/h4-7,9-12,14-17H,3,8,13,18-21H2,1-2H3,(H,32,36)(H,33,37)

InChI Key

OCEDNCNUSRDRTK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14738282

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

542.63

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

14.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.037

Distribution Coefficient, logD

3.037

Water Solubility, LogSw

-3.51

Polar Surface Area

85.220

Acid Dissociation Constant (pKa)

11.42

Base Dissociation Constant (pKb)

1.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.00

C260-1957 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Human Proteases Annotated Library (2868 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with C260-1957 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C260-1957?
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What is the minimum amount of C260-1957 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C260-1957
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C260-1957
  • 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 C260-1957 available by request