C284-0121 Screening compound: 3-(3-methoxyphenyl)-2-{[4-(3-methoxyphenyl)piperazin-1-yl]methyl}-6-nitro-3,4-dihydroquinazolin-4-one

C284-0121 Screening compound: 3-(3-methoxyphenyl)-2-{[4-(3-methoxyphenyl)piperazin-1-yl]methyl}-6-nitro-3,4-dihydroquinazolin-4-one
C284-0121 Screening compound: 3-(3-methoxyphenyl)-2-{[4-(3-methoxyphenyl)piperazin-1-yl]methyl}-6-nitro-3,4-dihydroquinazolin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C284-0121
3-(3-methoxyphenyl)-2-{[4-(3-methoxyphenyl)piperazin-1-yl]methyl}-6-nitro-3,4-dihydroquinazolin-4-one

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

C284-0121

Molecular Formula

C27H27N5O5 (C27 H27 N5 O5)

Compound Name

3-(3-methoxyphenyl)-2-{[4-(3-methoxyphenyl)piperazin-1-yl]methyl}-6-nitro-3,4-dihydroquinazolin-4-one

IUPAC name

3-(3-methoxyphenyl)-2-{[4-(3-methoxyphenyl)piperazin-1-yl]methyl}-6-nitro-34-dihydroquinazolin-4-one

SMILES

COc1cccc(N2CCN(CC(N3c4cc(OC)ccc4)=Nc(ccc([N+]([O-])=O)c4)c4C3=O)CC2)c1

InChI

InChI=1S/C27H27N5O5/c1-36-22-7-3-5-19(15-22)30-13-11-29(12-14-30)18-26-28-25-10-9-21(32(34)35)17-24(25)27(33)31(26)20-6-4-8-23(16-20)37-2/h3-10,15-17H,11-14,18H2,1-2H3

InChI Key

HSUSXYWRXAXETF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14740718

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

501.54

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.385

Distribution Coefficient, logD

3.385

Water Solubility, LogSw

-3.84

Polar Surface Area

80.328

Acid Dissociation Constant (pKa)

20.66

Base Dissociation Constant (pKb)

2.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.90

C284-0121 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

PI3K-Targeted Library (17255 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with C284-0121 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C284-0121?
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What is the minimum amount of C284-0121 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C284-0121
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C284-0121
  • 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 C284-0121 available by request