C260-1149 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[(1-{[(3-methoxyphenyl)carbamoyl]methyl}-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl)methyl]benzamide

C260-1149 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[(1-{[(3-methoxyphenyl)carbamoyl]methyl}-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl)methyl]benzamide
C260-1149 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[(1-{[(3-methoxyphenyl)carbamoyl]methyl}-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl)methyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C260-1149
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[(1-{[(3-methoxyphenyl)carbamoyl]methyl}-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl)methyl]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

C260-1149

Molecular Formula

C33H28N4O7 (C33 H28 N4 O7)

Compound Name

N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[(1-{[(3-methoxyphenyl)carbamoyl]methyl}-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl)methyl]benzamide

IUPAC name

N-[(2H-13-benzodioxol-5-yl)methyl]-4-[(1-{[(3-methoxyphenyl)carbamoyl]methyl}-24-dioxo-1234-tetrahydroquinazolin-3-yl)methyl]benzamide

SMILES

COc1cccc(NC(CN(c(cccc2)c2C(N2Cc(cc3)ccc3C(NCc(cc3)cc4c3OCO4)=O)=O)C2=O)=O)c1

InChI

InChI=1S/C33H28N4O7/c1-42-25-6-4-5-24(16-25)35-30(38)19-36-27-8-3-2-7-26(27)32(40)37(33(36)41)18-21-9-12-23(13-10-21)31(39)34-17-22-11-14-28-29(15-22)44-20-43-28/h2-16H,17-20H2,1H3,(H,34,39)(H,35,38)

InChI Key

ZISZVFZUIBQCCY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14737619

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

592.61

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

4.196

Distribution Coefficient, logD

4.196

Water Solubility, LogSw

-4.33

Polar Surface Area

103.489

Acid Dissociation Constant (pKa)

11.87

Base Dissociation Constant (pKb)

0.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.20

C260-1149 in Drug Discovery

Included in Screening Libraries

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

References: we are preparing a list of scientific research reports with C260-1149 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C260-1149?
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What is the minimum amount of C260-1149 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C260-1149
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C260-1149
  • 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 C260-1149 available by request