C284-0068 Screening compound: ethyl 1-{[3-(2,4-dimethoxyphenyl)-6-nitro-4-oxo-3,4-dihydroquinazolin-2-yl]methyl}piperidine-4-carboxylate

C284-0068 Screening compound: ethyl 1-{[3-(2,4-dimethoxyphenyl)-6-nitro-4-oxo-3,4-dihydroquinazolin-2-yl]methyl}piperidine-4-carboxylate
C284-0068 Screening compound: ethyl 1-{[3-(2,4-dimethoxyphenyl)-6-nitro-4-oxo-3,4-dihydroquinazolin-2-yl]methyl}piperidine-4-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C284-0068
ethyl 1-{[3-(2,4-dimethoxyphenyl)-6-nitro-4-oxo-3,4-dihydroquinazolin-2-yl]methyl}piperidine-4-carboxylate

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

C284-0068

Molecular Formula

C25H28N4O7 (C25 H28 N4 O7)

Compound Name

ethyl 1-{[3-(2,4-dimethoxyphenyl)-6-nitro-4-oxo-3,4-dihydroquinazolin-2-yl]methyl}piperidine-4-carboxylate

IUPAC name

ethyl 1-{[3-(24-dimethoxyphenyl)-6-nitro-4-oxo-34-dihydroquinazolin-2-yl]methyl}piperidine-4-carboxylate

SMILES

CCOC(C1CCN(CC(N2c(ccc(OC)c3)c3OC)=Nc(ccc([N+]([O-])=O)c3)c3C2=O)CC1)=O

InChI

InChI=1S/C25H28N4O7/c1-4-36-25(31)16-9-11-27(12-10-16)15-23-26-20-7-5-17(29(32)33)13-19(20)24(30)28(23)21-8-6-18(34-2)14-22(21)35-3/h5-8,13-14,16H,4,9-12,15H2,1-3H3

InChI Key

GBYGPSKIMYSOGM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14740697

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

496.52

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

2.547

Distribution Coefficient, logD

2.547

Water Solubility, LogSw

-2.98

Polar Surface Area

97.607

Acid Dissociation Constant (pKa)

20.96

Base Dissociation Constant (pKb)

4.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

C284-0068 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 C284-0068 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C284-0068?
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What is the minimum amount of C284-0068 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C284-0068
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C284-0068
  • 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 C284-0068 available by request