C487-0092 Screening compound: methyl 2-[2-(7-{[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}-2,4-dioxo-3-phenyl-1,2,3,4-tetrahydroquinazolin-1-yl)acetamido]benzoate

C487-0092 Screening compound: methyl 2-[2-(7-{[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}-2,4-dioxo-3-phenyl-1,2,3,4-tetrahydroquinazolin-1-yl)acetamido]benzoate
C487-0092 Screening compound: methyl 2-[2-(7-{[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}-2,4-dioxo-3-phenyl-1,2,3,4-tetrahydroquinazolin-1-yl)acetamido]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C487-0092
methyl 2-[2-(7-{[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}-2,4-dioxo-3-phenyl-1,2,3,4-tetrahydroquinazolin-1-yl)acetamido]benzoate

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

C487-0092

Molecular Formula

C33H26N4O8 (C33 H26 N4 O8)

Compound Name

methyl 2-[2-(7-{[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}-2,4-dioxo-3-phenyl-1,2,3,4-tetrahydroquinazolin-1-yl)acetamido]benzoate

IUPAC name

methyl 2-[2-(7-{[(2H-13-benzodioxol-5-yl)methyl]carbamoyl}-24-dioxo-3-phenyl-1234-tetrahydroquinazolin-1-yl)acetamido]benzoate

SMILES

COC(c(cccc1)c1NC(CN(c(cc(cc1)C(NCc(cc2)cc3c2OCO3)=O)c1C(N1c2ccccc2)=O)C1=O)=O)=O

InChI

InChI=1S/C33H26N4O8/c1-43-32(41)23-9-5-6-10-25(23)35-29(38)18-36-26-16-21(30(39)34-17-20-11-14-27-28(15-20)45-19-44-27)12-13-24(26)31(40)37(33(36)42)22-7-3-2-4-8-22/h2-16H,17-19H2,1H3,(H,34,39)(H,35,38)

InChI Key

AVULJAQPBCIFLA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14761441

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

606.59

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

3.359

Distribution Coefficient, logD

3.349

Water Solubility, LogSw

-3.79

Polar Surface Area

115.810

Acid Dissociation Constant (pKa)

9.03

Base Dissociation Constant (pKb)

-0.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.10

References: we are preparing a list of scientific research reports with C487-0092 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C487-0092?
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What is the minimum amount of C487-0092 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C487-0092
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C487-0092
  • 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 C487-0092 available by request