C260-0439 Screening compound: 1-[(2-chloro-4-fluorophenyl)methyl]-3-(3,4-dimethoxyphenyl)-1,2,3,4-tetrahydroquinazoline-2,4-dione

C260-0439 Screening compound: 1-[(2-chloro-4-fluorophenyl)methyl]-3-(3,4-dimethoxyphenyl)-1,2,3,4-tetrahydroquinazoline-2,4-dione
C260-0439 Screening compound: 1-[(2-chloro-4-fluorophenyl)methyl]-3-(3,4-dimethoxyphenyl)-1,2,3,4-tetrahydroquinazoline-2,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound C260-0439
1-[(2-chloro-4-fluorophenyl)methyl]-3-(3,4-dimethoxyphenyl)-1,2,3,4-tetrahydroquinazoline-2,4-dione

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

C260-0439

Molecular Formula

C23H18ClFN2O4 (C23 H18 ClFN2 O4)

Compound Name

1-[(2-chloro-4-fluorophenyl)methyl]-3-(3,4-dimethoxyphenyl)-1,2,3,4-tetrahydroquinazoline-2,4-dione

IUPAC name

1-[(2-chloro-4-fluorophenyl)methyl]-3-(34-dimethoxyphenyl)-1234-tetrahydroquinazoline-24-dione

SMILES

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

InChI

InChI=1S/C23H18ClFN2O4/c1-30-20-10-9-16(12-21(20)31-2)27-22(28)17-5-3-4-6-19(17)26(23(27)29)13-14-7-8-15(25)11-18(14)24/h3-12H,13H2,1-2H3

InChI Key

KVAPSSPPLIQOAW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14737314

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

440.86

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.879

Distribution Coefficient, logD

3.879

Water Solubility, LogSw

-4.28

Polar Surface Area

45.916

Acid Dissociation Constant (pKa)

27.78

Base Dissociation Constant (pKb)

-5.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.00

C260-0439 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anticancer Library (62698 compounds)

Human Kinases Annotated Library (2415 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
Agro:
  • Agro

References: we are preparing a list of scientific research reports with C260-0439 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C260-0439?
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What is the minimum amount of C260-0439 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C260-0439
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C260-0439
  • 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 C260-0439 available by request