C487-0417 Screening compound: 3-[(2H-1,3-benzodioxol-5-yl)methyl]-N,1-bis[(2-chlorophenyl)methyl]-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-7-carboxamide

C487-0417 Screening compound: 3-[(2H-1,3-benzodioxol-5-yl)methyl]-N,1-bis[(2-chlorophenyl)methyl]-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-7-carboxamide
C487-0417 Screening compound: 3-[(2H-1,3-benzodioxol-5-yl)methyl]-N,1-bis[(2-chlorophenyl)methyl]-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-7-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C487-0417
3-[(2H-1,3-benzodioxol-5-yl)methyl]-N,1-bis[(2-chlorophenyl)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

C487-0417

Molecular Formula

C31H23Cl2N3O5 (C31 H23 Cl2 N3 O5)

Compound Name

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

IUPAC name

3-[(2H-13-benzodioxol-5-yl)methyl]-N1-bis[(2-chlorophenyl)methyl]-24-dioxo-1234-tetrahydroquinazoline-7-carboxamide

SMILES

O=C(c(cc1)cc(N(Cc(cccc2)c2Cl)C(N2Cc(cc3)cc4c3OCO4)=O)c1C2=O)NCc(cccc1)c1Cl

InChI

InChI=1S/C31H23Cl2N3O5/c32-24-7-3-1-5-21(24)15-34-29(37)20-10-11-23-26(14-20)35(17-22-6-2-4-8-25(22)33)31(39)36(30(23)38)16-19-9-12-27-28(13-19)41-18-40-27/h1-14H,15-18H2,(H,34,37)

InChI Key

JZSBZBAVOVAWGD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14761613

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

588.45

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

6.392

Distribution Coefficient, logD

6.392

Water Solubility, LogSw

-6.21

Polar Surface Area

72.796

Acid Dissociation Constant (pKa)

12.24

Base Dissociation Constant (pKb)

-5.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.90

References: we are preparing a list of scientific research reports with C487-0417 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of C487-0417 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C487-0417
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C487-0417
  • 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 C487-0417 available by request