C260-1218 Screening compound: 3-(1-{[(3-chlorophenyl)carbamoyl]methyl}-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl)-N-[(2-methoxyphenyl)methyl]propanamide

C260-1218 Screening compound: 3-(1-{[(3-chlorophenyl)carbamoyl]methyl}-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl)-N-[(2-methoxyphenyl)methyl]propanamide
C260-1218 Screening compound: 3-(1-{[(3-chlorophenyl)carbamoyl]methyl}-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl)-N-[(2-methoxyphenyl)methyl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C260-1218
3-(1-{[(3-chlorophenyl)carbamoyl]methyl}-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl)-N-[(2-methoxyphenyl)methyl]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

C260-1218

Molecular Formula

C27H25ClN4O5 (C27 H25 ClN4 O5)

Compound Name

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

IUPAC name

3-(1-{[(3-chlorophenyl)carbamoyl]methyl}-24-dioxo-1234-tetrahydroquinazolin-3-yl)-N-[(2-methoxyphenyl)methyl]propanamide

SMILES

COc1c(CNC(CCN(C(c(cccc2)c2N2CC(Nc3cccc(Cl)c3)=O)=O)C2=O)=O)cccc1

InChI

InChI=1S/C27H25ClN4O5/c1-37-23-12-5-2-7-18(23)16-29-24(33)13-14-31-26(35)21-10-3-4-11-22(21)32(27(31)36)17-25(34)30-20-9-6-8-19(28)15-20/h2-12,15H,13-14,16-17H2,1H3,(H,29,33)(H,30,34)

InChI Key

KGIYCCHHEMCLTC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14737680

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

520.97

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.893

Distribution Coefficient, logD

3.892

Water Solubility, LogSw

-4.23

Polar Surface Area

86.496

Acid Dissociation Constant (pKa)

10.97

Base Dissociation Constant (pKb)

-0.38

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.50

C260-1218 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anticancer Library (62698 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
Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with C260-1218 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C260-1218?
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What is the minimum amount of C260-1218 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C260-1218
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C260-1218
  • 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 C260-1218 available by request