C260-1147 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[(1-{[(4-ethoxyphenyl)carbamoyl]methyl}-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl)methyl]benzamide

C260-1147 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[(1-{[(4-ethoxyphenyl)carbamoyl]methyl}-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl)methyl]benzamide
C260-1147 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[(1-{[(4-ethoxyphenyl)carbamoyl]methyl}-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl)methyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C260-1147
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[(1-{[(4-ethoxyphenyl)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

C260-1147

Molecular Formula

C34H30N4O7 (C34 H30 N4 O7)

Compound Name

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

SMILES

CCOc(cc1)ccc1NC(CN(c(cccc1)c1C(N1Cc(cc2)ccc2C(NCc(cc2)cc3c2OCO3)=O)=O)C1=O)=O

InChI

InChI=1S/C34H30N4O7/c1-2-43-26-14-12-25(13-15-26)36-31(39)20-37-28-6-4-3-5-27(28)33(41)38(34(37)42)19-22-7-10-24(11-8-22)32(40)35-18-23-9-16-29-30(17-23)45-21-44-29/h3-17H,2,18-21H2,1H3,(H,35,40)(H,36,39)

InChI Key

VKGQKAKVOZBXOM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14737617

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

606.63

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

4.499

Distribution Coefficient, logD

4.499

Water Solubility, LogSw

-4.24

Polar Surface Area

103.069

Acid Dissociation Constant (pKa)

12.52

Base Dissociation Constant (pKb)

4.61

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.60

C260-1147 in Drug Discovery

Included in Screening Libraries

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 C260-1147 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C260-1147?
Check Price and Availability of C260-1147, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of C260-1147 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C260-1147
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C260-1147
  • 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 C260-1147 available by request