C284-0125 Screening compound: ethyl 4-(2-{[4-(3-methoxyphenyl)piperazin-1-yl]methyl}-6-nitro-4-oxo-3,4-dihydroquinazolin-3-yl)benzoate

C284-0125 Screening compound: ethyl 4-(2-{[4-(3-methoxyphenyl)piperazin-1-yl]methyl}-6-nitro-4-oxo-3,4-dihydroquinazolin-3-yl)benzoate
C284-0125 Screening compound: ethyl 4-(2-{[4-(3-methoxyphenyl)piperazin-1-yl]methyl}-6-nitro-4-oxo-3,4-dihydroquinazolin-3-yl)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C284-0125
ethyl 4-(2-{[4-(3-methoxyphenyl)piperazin-1-yl]methyl}-6-nitro-4-oxo-3,4-dihydroquinazolin-3-yl)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

C284-0125

Molecular Formula

C29H29N5O6 (C29 H29 N5 O6)

Compound Name

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

IUPAC name

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

SMILES

CCOC(c(cc1)ccc1N(C(CN(CC1)CCN1c1cc(OC)ccc1)=Nc(cc1)c2cc1[N+]([O-])=O)C2=O)=O

InChI

InChI=1S/C29H29N5O6/c1-3-40-29(36)20-7-9-21(10-8-20)33-27(30-26-12-11-23(34(37)38)18-25(26)28(33)35)19-31-13-15-32(16-14-31)22-5-4-6-24(17-22)39-2/h4-12,17-18H,3,13-16,19H2,1-2H3

InChI Key

JSLXNLASPADWEQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14740720

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

543.58

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

3.822

Distribution Coefficient, logD

3.822

Water Solubility, LogSw

-3.96

Polar Surface Area

93.538

Acid Dissociation Constant (pKa)

20.66

Base Dissociation Constant (pKb)

2.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.60

C284-0125 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 C284-0125 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C284-0125?
Check Price and Availability of C284-0125, 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 C284-0125 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C284-0125
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C284-0125
  • 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 C284-0125 available by request