C284-0346 Screening compound: ethyl 1-{[3-(2-fluorophenyl)-6-nitro-4-oxo-3,4-dihydroquinazolin-2-yl]methyl}piperidine-3-carboxylate

C284-0346 Screening compound: ethyl 1-{[3-(2-fluorophenyl)-6-nitro-4-oxo-3,4-dihydroquinazolin-2-yl]methyl}piperidine-3-carboxylate
C284-0346 Screening compound: ethyl 1-{[3-(2-fluorophenyl)-6-nitro-4-oxo-3,4-dihydroquinazolin-2-yl]methyl}piperidine-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C284-0346
ethyl 1-{[3-(2-fluorophenyl)-6-nitro-4-oxo-3,4-dihydroquinazolin-2-yl]methyl}piperidine-3-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

C284-0346

Molecular Formula

C23H23FN4O5 (C23 H23 FN4 O5)

Compound Name

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

IUPAC name

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

SMILES

CCOC(C1CN(CC(N2c(cccc3)c3F)=Nc(ccc([N+]([O-])=O)c3)c3C2=O)CCC1)=O

InChI

InChI=1S/C23H23FN4O5/c1-2-33-23(30)15-6-5-11-26(13-15)14-21-25-19-10-9-16(28(31)32)12-17(19)22(29)27(21)20-8-4-3-7-18(20)24/h3-4,7-10,12,15H,2,5-6,11,13-14H2,1H3/t15-/m0/s1

InChI Key

UFFVWHSCPLOUEN-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD14740800

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

454.46

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.439

Distribution Coefficient, logD

2.439

Water Solubility, LogSw

-3.05

Polar Surface Area

82.366

Acid Dissociation Constant (pKa)

20.73

Base Dissociation Constant (pKb)

2.65

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

34.80

C284-0346 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

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

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with C284-0346 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C284-0346?
Check Price and Availability of C284-0346, 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 C284-0346 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C284-0346
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C284-0346
  • 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 C284-0346 available by request