C260-1386 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(1-{[(2,5-dimethylphenyl)carbamoyl]methyl}-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl)propanamide

C260-1386 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(1-{[(2,5-dimethylphenyl)carbamoyl]methyl}-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl)propanamide
C260-1386 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(1-{[(2,5-dimethylphenyl)carbamoyl]methyl}-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C260-1386
N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(1-{[(2,5-dimethylphenyl)carbamoyl]methyl}-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl)propanamide

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

C260-1386

Molecular Formula

C29H28N4O6 (C29 H28 N4 O6)

Compound Name

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

IUPAC name

N-[(2H-13-benzodioxol-5-yl)methyl]-3-(1-{[(25-dimethylphenyl)carbamoyl]methyl}-24-dioxo-1234-tetrahydroquinazolin-3-yl)propanamide

SMILES

Cc1cc(NC(CN(c(cccc2)c2C(N2CCC(NCc(cc3)cc4c3OCO4)=O)=O)C2=O)=O)c(C)cc1

InChI

InChI=1S/C29H28N4O6/c1-18-7-8-19(2)22(13-18)31-27(35)16-33-23-6-4-3-5-21(23)28(36)32(29(33)37)12-11-26(34)30-15-20-9-10-24-25(14-20)39-17-38-24/h3-10,13-14H,11-12,15-17H2,1-2H3,(H,30,34)(H,31,35)

InChI Key

JKNZXOHQRYMODS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14737835

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

528.56

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.872

Distribution Coefficient, logD

2.872

Water Solubility, LogSw

-3.41

Polar Surface Area

95.284

Acid Dissociation Constant (pKa)

12.79

Base Dissociation Constant (pKb)

2.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.10

C260-1386 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anticancer Library (62698 compounds)

Human Proteases Annotated Library (2868 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 C260-1386 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C260-1386?
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What is the minimum amount of C260-1386 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C260-1386
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C260-1386
  • 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 C260-1386 available by request