C260-1014 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-5-(1-{[(4-ethoxyphenyl)carbamoyl]methyl}-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl)pentanamide

C260-1014 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-5-(1-{[(4-ethoxyphenyl)carbamoyl]methyl}-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl)pentanamide
C260-1014 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-5-(1-{[(4-ethoxyphenyl)carbamoyl]methyl}-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl)pentanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C260-1014
N-[(2H-1,3-benzodioxol-5-yl)methyl]-5-(1-{[(4-ethoxyphenyl)carbamoyl]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

C260-1014

Molecular Formula

C31H32N4O7 (C31 H32 N4 O7)

Compound Name

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

IUPAC name

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

SMILES

CCOc(cc1)ccc1NC(CN(c(cccc1)c1C(N1CCCCC(NCc(cc2)cc3c2OCO3)=O)=O)C1=O)=O

InChI

InChI=1S/C31H32N4O7/c1-2-40-23-13-11-22(12-14-23)33-29(37)19-35-25-8-4-3-7-24(25)30(38)34(31(35)39)16-6-5-9-28(36)32-18-21-10-15-26-27(17-21)42-20-41-26/h3-4,7-8,10-15,17H,2,5-6,9,16,18-20H2,1H3,(H,32,36)(H,33,37)

InChI Key

RWJXOHIWUCJAIU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14737513

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

572.62

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

14.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

3.461

Distribution Coefficient, logD

3.461

Water Solubility, LogSw

-3.81

Polar Surface Area

103.105

Acid Dissociation Constant (pKa)

12.52

Base Dissociation Constant (pKb)

4.61

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.00

C260-1014 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Human Proteases Annotated Library (2868 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C260-1014 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C260-1014?
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What is the minimum amount of C260-1014 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C260-1014
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C260-1014
  • 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 C260-1014 available by request