C191-0202 Screening compound: 4-[(6,7-dimethoxy-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl)methyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide

C191-0202 Screening compound: 4-[(6,7-dimethoxy-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl)methyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide
C191-0202 Screening compound: 4-[(6,7-dimethoxy-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 C191-0202
4-[(6,7-dimethoxy-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

C191-0202

Molecular Formula

C28H29N3O7 (C28 H29 N3 O7)

Compound Name

4-[(6,7-dimethoxy-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl)methyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide

IUPAC name

4-[(67-dimethoxy-24-dioxo-1234-tetrahydroquinazolin-3-yl)methyl]-N-[2-(34-dimethoxyphenyl)ethyl]benzamide

SMILES

COc(ccc(CCNC(c1ccc(CN(C(c(cc(c(OC)c2)OC)c2N2)=O)C2=O)cc1)=O)c1)c1OC

InChI

InChI=1S/C28H29N3O7/c1-35-22-10-7-17(13-23(22)36-2)11-12-29-26(32)19-8-5-18(6-9-19)16-31-27(33)20-14-24(37-3)25(38-4)15-21(20)30-28(31)34/h5-10,13-15H,11-12,16H2,1-4H3,(H,29,32)(H,30,34)

InChI Key

VVRONEAIWHABFI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14725036

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

519.55

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.572

Distribution Coefficient, logD

2.567

Water Solubility, LogSw

-3.19

Polar Surface Area

95.257

Acid Dissociation Constant (pKa)

9.32

Base Dissociation Constant (pKb)

-2.97

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

C191-0202 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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 C191-0202 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C191-0202?
Check Price and Availability of C191-0202, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of C191-0202 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C191-0202
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C191-0202
  • 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 C191-0202 available by request