C260-1071 Screening compound: N-[2-(4-chlorophenyl)ethyl]-5-(1-{[(4-ethoxyphenyl)carbamoyl]methyl}-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl)pentanamide

C260-1071 Screening compound: N-[2-(4-chlorophenyl)ethyl]-5-(1-{[(4-ethoxyphenyl)carbamoyl]methyl}-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl)pentanamide
C260-1071 Screening compound: N-[2-(4-chlorophenyl)ethyl]-5-(1-{[(4-ethoxyphenyl)carbamoyl]methyl}-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl)pentanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C260-1071
N-[2-(4-chlorophenyl)ethyl]-5-(1-{[(4-ethoxyphenyl)carbamoyl]methyl}-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl)pentanamide

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

C260-1071

Molecular Formula

C31H33ClN4O5 (C31 H33 ClN4 O5)

Compound Name

N-[2-(4-chlorophenyl)ethyl]-5-(1-{[(4-ethoxyphenyl)carbamoyl]methyl}-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl)pentanamide

IUPAC name

N-[2-(4-chlorophenyl)ethyl]-5-(1-{[(4-ethoxyphenyl)carbamoyl]methyl}-24-dioxo-1234-tetrahydroquinazolin-3-yl)pentanamide

SMILES

CCOc(cc1)ccc1NC(CN(c(cccc1)c1C(N1CCCCC(NCCc(cc2)ccc2Cl)=O)=O)C1=O)=O

InChI

InChI=1S/C31H33ClN4O5/c1-2-41-25-16-14-24(15-17-25)34-29(38)21-36-27-8-4-3-7-26(27)30(39)35(31(36)40)20-6-5-9-28(37)33-19-18-22-10-12-23(32)13-11-22/h3-4,7-8,10-17H,2,5-6,9,18-21H2,1H3,(H,33,37)(H,34,38)

InChI Key

LZKAWWQLQSNKFF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14737556

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

577.08

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

15.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.917

Distribution Coefficient, logD

3.917

Water Solubility, LogSw

-4.40

Polar Surface Area

85.831

Acid Dissociation Constant (pKa)

12.52

Base Dissociation Constant (pKb)

4.61

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.00

C260-1071 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Annotated Library (21441 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

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

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

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with C260-1071 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C260-1071?
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What is the minimum amount of C260-1071 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C260-1071
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C260-1071
  • 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 C260-1071 available by request