C260-1318 Screening compound: 4-{1-[(2-chloro-4-fluorophenyl)methyl]-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl}-N-[2-(3,4-dimethoxyphenyl)ethyl]butanamide

C260-1318 Screening compound: 4-{1-[(2-chloro-4-fluorophenyl)methyl]-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl}-N-[2-(3,4-dimethoxyphenyl)ethyl]butanamide
C260-1318 Screening compound: 4-{1-[(2-chloro-4-fluorophenyl)methyl]-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl}-N-[2-(3,4-dimethoxyphenyl)ethyl]butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C260-1318
4-{1-[(2-chloro-4-fluorophenyl)methyl]-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl}-N-[2-(3,4-dimethoxyphenyl)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

C260-1318

Molecular Formula

C29H29ClFN3O5 (C29 H29 ClFN3 O5)

Compound Name

4-{1-[(2-chloro-4-fluorophenyl)methyl]-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl}-N-[2-(3,4-dimethoxyphenyl)ethyl]butanamide

IUPAC name

4-{1-[(2-chloro-4-fluorophenyl)methyl]-24-dioxo-1234-tetrahydroquinazolin-3-yl}-N-[2-(34-dimethoxyphenyl)ethyl]butanamide

SMILES

COc(ccc(CCNC(CCCN(C(c(cccc1)c1N1Cc(ccc(F)c2)c2Cl)=O)C1=O)=O)c1)c1OC

InChI

InChI=1S/C29H29ClFN3O5/c1-38-25-12-9-19(16-26(25)39-2)13-14-32-27(35)8-5-15-33-28(36)22-6-3-4-7-24(22)34(29(33)37)18-20-10-11-21(31)17-23(20)30/h3-4,6-7,9-12,16-17H,5,8,13-15,18H2,1-2H3,(H,32,35)

InChI Key

BGJRTGLTUATIJE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14737775

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

554.02

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.275

Distribution Coefficient, logD

3.275

Water Solubility, LogSw

-3.72

Polar Surface Area

70.819

Acid Dissociation Constant (pKa)

14.38

Base Dissociation Constant (pKb)

0.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.60

C260-1318 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anticancer Library (62698 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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 C260-1318 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C260-1318?
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What is the minimum amount of C260-1318 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C260-1318
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C260-1318
  • 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 C260-1318 available by request