C487-0428 Screening compound: 3-[(2H-1,3-benzodioxol-5-yl)methyl]-1-({[(furan-2-yl)methyl]carbamoyl}methyl)-N-[(4-methoxyphenyl)methyl]-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-7-carboxamide

C487-0428 Screening compound: 3-[(2H-1,3-benzodioxol-5-yl)methyl]-1-({[(furan-2-yl)methyl]carbamoyl}methyl)-N-[(4-methoxyphenyl)methyl]-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-7-carboxamide
C487-0428 Screening compound: 3-[(2H-1,3-benzodioxol-5-yl)methyl]-1-({[(furan-2-yl)methyl]carbamoyl}methyl)-N-[(4-methoxyphenyl)methyl]-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-7-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C487-0428
3-[(2H-1,3-benzodioxol-5-yl)methyl]-1-({[(furan-2-yl)methyl]carbamoyl}methyl)-N-[(4-methoxyphenyl)methyl]-2,4-dioxo-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

C487-0428

Molecular Formula

C32H28N4O8 (C32 H28 N4 O8)

Compound Name

3-[(2H-1,3-benzodioxol-5-yl)methyl]-1-({[(furan-2-yl)methyl]carbamoyl}methyl)-N-[(4-methoxyphenyl)methyl]-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-7-carboxamide

IUPAC name

3-[(2H-13-benzodioxol-5-yl)methyl]-1-({[(furan-2-yl)methyl]carbamoyl}methyl)-N-[(4-methoxyphenyl)methyl]-24-dioxo-1234-tetrahydroquinazoline-7-carboxamide

SMILES

COc1ccc(CNC(c(cc2)cc(N(CC(NCc3ccco3)=O)C(N3Cc(cc4)cc5c4OCO5)=O)c2C3=O)=O)cc1

InChI

InChI=1S/C32H28N4O8/c1-41-23-8-4-20(5-9-23)15-34-30(38)22-7-10-25-26(14-22)35(18-29(37)33-16-24-3-2-12-42-24)32(40)36(31(25)39)17-21-6-11-27-28(13-21)44-19-43-27/h2-14H,15-19H2,1H3,(H,33,37)(H,34,38)

InChI Key

VRYXMXZPOIBSJQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14761615

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

596.6

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

3.843

Distribution Coefficient, logD

3.843

Water Solubility, LogSw

-4.09

Polar Surface Area

112.560

Acid Dissociation Constant (pKa)

13.15

Base Dissociation Constant (pKb)

-1.81

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.80

C487-0428 in Drug Discovery

Included in Screening Libraries

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with C487-0428 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C487-0428?
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What is the minimum amount of C487-0428 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C487-0428
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C487-0428
  • 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 C487-0428 available by request