C260-1339 Screening compound: 4-({1-[(3-chlorophenyl)methyl]-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl}methyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide

C260-1339 Screening compound: 4-({1-[(3-chlorophenyl)methyl]-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl}methyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide
C260-1339 Screening compound: 4-({1-[(3-chlorophenyl)methyl]-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl}methyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C260-1339
4-({1-[(3-chlorophenyl)methyl]-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl}methyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide

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

C260-1339

Molecular Formula

C33H30ClN3O5 (C33 H30 ClN3 O5)

Compound Name

4-({1-[(3-chlorophenyl)methyl]-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl}methyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide

IUPAC name

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

SMILES

COc(ccc(CCNC(c1ccc(CN(C(c(cccc2)c2N2Cc3cccc(Cl)c3)=O)C2=O)cc1)=O)c1)c1OC

InChI

InChI=1S/C33H30ClN3O5/c1-41-29-15-12-22(19-30(29)42-2)16-17-35-31(38)25-13-10-23(11-14-25)20-37-32(39)27-8-3-4-9-28(27)36(33(37)40)21-24-6-5-7-26(34)18-24/h3-15,18-19H,16-17,20-21H2,1-2H3,(H,35,38)

InChI Key

PYVWXELAPSMFFM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14737793

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

584.07

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.917

Distribution Coefficient, logD

4.917

Water Solubility, LogSw

-4.89

Polar Surface Area

70.782

Acid Dissociation Constant (pKa)

12.97

Base Dissociation Constant (pKb)

-2.97

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

C260-1339 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 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)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with C260-1339 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C260-1339?
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What is the minimum amount of C260-1339 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C260-1339
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C260-1339
  • 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 C260-1339 available by request