C260-3017 Screening compound: 2-{3-[(2-chlorophenyl)methyl]-6,7-dimethoxy-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-1-yl}-N-(3,5-dimethoxyphenyl)acetamide

C260-3017 Screening compound: 2-{3-[(2-chlorophenyl)methyl]-6,7-dimethoxy-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-1-yl}-N-(3,5-dimethoxyphenyl)acetamide
C260-3017 Screening compound: 2-{3-[(2-chlorophenyl)methyl]-6,7-dimethoxy-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-1-yl}-N-(3,5-dimethoxyphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C260-3017
2-{3-[(2-chlorophenyl)methyl]-6,7-dimethoxy-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-1-yl}-N-(3,5-dimethoxyphenyl)acetamide

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

C260-3017

Molecular Formula

C27H26ClN3O7 (C27 H26 ClN3 O7)

Compound Name

2-{3-[(2-chlorophenyl)methyl]-6,7-dimethoxy-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-1-yl}-N-(3,5-dimethoxyphenyl)acetamide

IUPAC name

2-{3-[(2-chlorophenyl)methyl]-67-dimethoxy-24-dioxo-1234-tetrahydroquinazolin-1-yl}-N-(35-dimethoxyphenyl)acetamide

SMILES

COc1cc(NC(CN(c(cc(c(OC)c2)OC)c2C(N2Cc(cccc3)c3Cl)=O)C2=O)=O)cc(OC)c1

InChI

InChI=1S/C27H26ClN3O7/c1-35-18-9-17(10-19(11-18)36-2)29-25(32)15-30-22-13-24(38-4)23(37-3)12-20(22)26(33)31(27(30)34)14-16-7-5-6-8-21(16)28/h5-13H,14-15H2,1-4H3,(H,29,32)

InChI Key

SJGJYNOVPWRYQW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14739050

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

539.97

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

4.721

Distribution Coefficient, logD

4.721

Water Solubility, LogSw

-4.87

Polar Surface Area

84.765

Acid Dissociation Constant (pKa)

10.89

Base Dissociation Constant (pKb)

0.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

C260-3017 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 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 C260-3017 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C260-3017?
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What is the minimum amount of C260-3017 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C260-3017
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C260-3017
  • 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 C260-3017 available by request