C284-0127 Screening compound: 3-(3-methoxyphenyl)-2-[(2-methylpiperidin-1-yl)methyl]-6-nitro-3,4-dihydroquinazolin-4-one

C284-0127 Screening compound: 3-(3-methoxyphenyl)-2-[(2-methylpiperidin-1-yl)methyl]-6-nitro-3,4-dihydroquinazolin-4-one
C284-0127 Screening compound: 3-(3-methoxyphenyl)-2-[(2-methylpiperidin-1-yl)methyl]-6-nitro-3,4-dihydroquinazolin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C284-0127
3-(3-methoxyphenyl)-2-[(2-methylpiperidin-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

C284-0127

Molecular Formula

C22H24N4O4 (C22 H24 N4 O4)

Compound Name

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

IUPAC name

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

SMILES

CC1N(CC(N2c3cc(OC)ccc3)=Nc(ccc([N+]([O-])=O)c3)c3C2=O)CCCC1

InChI

InChI=1S/C22H24N4O4/c1-15-6-3-4-11-24(15)14-21-23-20-10-9-17(26(28)29)13-19(20)22(27)25(21)16-7-5-8-18(12-16)30-2/h5,7-10,12-13,15H,3-4,6,11,14H2,1-2H3/t15-/m0/s1

InChI Key

ZNGHGCTVTPNCTD-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD14740721

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

408.46

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.880

Distribution Coefficient, logD

2.879

Water Solubility, LogSw

-3.48

Polar Surface Area

68.974

Acid Dissociation Constant (pKa)

20.68

Base Dissociation Constant (pKb)

4.63

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.40

C284-0127 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

PI3K-Targeted Library (17255 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with C284-0127 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C284-0127?
Check Price and Availability of C284-0127, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of C284-0127 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C284-0127
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C284-0127
  • 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 C284-0127 available by request