C260-1026 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-5-{1-[(2-cyanophenyl)methyl]-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl}pentanamide

C260-1026 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-5-{1-[(2-cyanophenyl)methyl]-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl}pentanamide
C260-1026 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-5-{1-[(2-cyanophenyl)methyl]-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl}pentanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C260-1026
N-[(2H-1,3-benzodioxol-5-yl)methyl]-5-{1-[(2-cyanophenyl)methyl]-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl}pentanamide

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

C260-1026

Molecular Formula

C29H26N4O5 (C29 H26 N4 O5)

Compound Name

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

IUPAC name

N-[(2H-13-benzodioxol-5-yl)methyl]-5-{1-[(2-cyanophenyl)methyl]-24-dioxo-1234-tetrahydroquinazolin-3-yl}pentanamide

SMILES

N#Cc1c(CN(c(cccc2)c2C(N2CCCCC(NCc(cc3)cc4c3OCO4)=O)=O)C2=O)cccc1

InChI

InChI=1S/C29H26N4O5/c30-16-21-7-1-2-8-22(21)18-33-24-10-4-3-9-23(24)28(35)32(29(33)36)14-6-5-11-27(34)31-17-20-12-13-25-26(15-20)38-19-37-25/h1-4,7-10,12-13,15H,5-6,11,14,17-19H2,(H,31,34)

InChI Key

PLJCUBNJPYTQKR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14737520

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

510.55

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.351

Distribution Coefficient, logD

3.351

Water Solubility, LogSw

-3.74

Polar Surface Area

89.888

Acid Dissociation Constant (pKa)

14.52

Base Dissociation Constant (pKb)

-0.47

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.10

C260-1026 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Human Receptors Annotated Library (5376 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

References: we are preparing a list of scientific research reports with C260-1026 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C260-1026?
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What is the minimum amount of C260-1026 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C260-1026
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C260-1026
  • 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 C260-1026 available by request