C260-1189 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[(1-{[methyl(phenyl)carbamoyl]methyl}-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl)methyl]benzamide

C260-1189 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[(1-{[methyl(phenyl)carbamoyl]methyl}-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl)methyl]benzamide
C260-1189 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[(1-{[methyl(phenyl)carbamoyl]methyl}-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl)methyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C260-1189
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[(1-{[methyl(phenyl)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

C260-1189

Molecular Formula

C33H28N4O6 (C33 H28 N4 O6)

Compound Name

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

SMILES

CN(C(CN(c(cccc1)c1C(N1Cc(cc2)ccc2C(NCc(cc2)cc3c2OCO3)=O)=O)C1=O)=O)c1ccccc1

InChI

InChI=1S/C33H28N4O6/c1-35(25-7-3-2-4-8-25)30(38)20-36-27-10-6-5-9-26(27)32(40)37(33(36)41)19-22-11-14-24(15-12-22)31(39)34-18-23-13-16-28-29(17-23)43-21-42-28/h2-17H,18-21H2,1H3,(H,34,39)

InChI Key

CIVMIMABOQXDTN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14737657

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

576.61

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

3.305

Distribution Coefficient, logD

3.305

Water Solubility, LogSw

-3.87

Polar Surface Area

87.909

Acid Dissociation Constant (pKa)

13.11

Base Dissociation Constant (pKb)

-0.31

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.20

C260-1189 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anticancer Library (62698 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with C260-1189 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C260-1189?
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What is the minimum amount of C260-1189 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C260-1189
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C260-1189
  • 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 C260-1189 available by request