C487-0151 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-[(4-methylphenyl)methyl]-2,4-dioxo-3-(prop-2-en-1-yl)-1,2,3,4-tetrahydroquinazoline-7-carboxamide

C487-0151 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-[(4-methylphenyl)methyl]-2,4-dioxo-3-(prop-2-en-1-yl)-1,2,3,4-tetrahydroquinazoline-7-carboxamide
C487-0151 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-[(4-methylphenyl)methyl]-2,4-dioxo-3-(prop-2-en-1-yl)-1,2,3,4-tetrahydroquinazoline-7-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C487-0151
N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-[(4-methylphenyl)methyl]-2,4-dioxo-3-(prop-2-en-1-yl)-1,2,3,4-tetrahydroquinazoline-7-carboxamide

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

C487-0151

Molecular Formula

C28H25N3O5 (C28 H25 N3 O5)

Compound Name

N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-[(4-methylphenyl)methyl]-2,4-dioxo-3-(prop-2-en-1-yl)-1,2,3,4-tetrahydroquinazoline-7-carboxamide

IUPAC name

N-[(2H-13-benzodioxol-5-yl)methyl]-1-[(4-methylphenyl)methyl]-24-dioxo-3-(prop-2-en-1-yl)-1234-tetrahydroquinazoline-7-carboxamide

SMILES

Cc1ccc(CN(c(cc(cc2)C(NCc(cc3)cc4c3OCO4)=O)c2C(N2CC=C)=O)C2=O)cc1

InChI

InChI=1S/C28H25N3O5/c1-3-12-30-27(33)22-10-9-21(26(32)29-15-20-8-11-24-25(13-20)36-17-35-24)14-23(22)31(28(30)34)16-19-6-4-18(2)5-7-19/h3-11,13-14H,1,12,15-17H2,2H3,(H,29,32)

InChI Key

AAJPCBLLZNKAIN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14761484

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

483.52

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.474

Distribution Coefficient, logD

4.474

Water Solubility, LogSw

-4.32

Polar Surface Area

73.046

Acid Dissociation Constant (pKa)

13.74

Base Dissociation Constant (pKb)

-4.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.90

C487-0151 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Cancer

References: we are preparing a list of scientific research reports with C487-0151 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C487-0151?
Check Price and Availability of C487-0151, 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 C487-0151 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C487-0151
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C487-0151
  • 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 C487-0151 available by request