C284-0076 Screening compound: ethyl 4-{[3-(2-fluorophenyl)-6-nitro-4-oxo-3,4-dihydroquinazolin-2-yl]methyl}piperazine-1-carboxylate

C284-0076 Screening compound: ethyl 4-{[3-(2-fluorophenyl)-6-nitro-4-oxo-3,4-dihydroquinazolin-2-yl]methyl}piperazine-1-carboxylate
C284-0076 Screening compound: ethyl 4-{[3-(2-fluorophenyl)-6-nitro-4-oxo-3,4-dihydroquinazolin-2-yl]methyl}piperazine-1-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C284-0076
ethyl 4-{[3-(2-fluorophenyl)-6-nitro-4-oxo-3,4-dihydroquinazolin-2-yl]methyl}piperazine-1-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

C284-0076

Molecular Formula

C22H22FN5O5 (C22 H22 FN5 O5)

Compound Name

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

IUPAC name

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

SMILES

CCOC(N1CCN(CC(N2c(cccc3)c3F)=Nc(ccc([N+]([O-])=O)c3)c3C2=O)CC1)=O

InChI

InChI=1S/C22H22FN5O5/c1-2-33-22(30)26-11-9-25(10-12-26)14-20-24-18-8-7-15(28(31)32)13-16(18)21(29)27(20)19-6-4-3-5-17(19)23/h3-8,13H,2,9-12,14H2,1H3

InChI Key

NKBJJCPZYILOSK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14740702

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

455.45

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.066

Distribution Coefficient, logD

2.066

Water Solubility, LogSw

-3.07

Polar Surface Area

84.459

Acid Dissociation Constant (pKa)

20.43

Base Dissociation Constant (pKb)

2.56

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.80

C284-0076 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Human GPCR Annotated Library (5539 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with C284-0076 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C284-0076?
Check Price and Availability of C284-0076, 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 C284-0076 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C284-0076
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C284-0076
  • 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 C284-0076 available by request