F235-1253 Screening compound: 3-(2-hydroxyethyl)-2-[(E)-2-(5-nitro-3-furyl)-1-ethenyl]-4(3H)-quinazolinone

F235-1253 Screening compound: 3-(2-hydroxyethyl)-2-[(E)-2-(5-nitro-3-furyl)-1-ethenyl]-4(3H)-quinazolinone
F235-1253 Screening compound: 3-(2-hydroxyethyl)-2-[(E)-2-(5-nitro-3-furyl)-1-ethenyl]-4(3H)-quinazolinone alternative view

Chemical Structure Depiction of ChemDiv screening compound F235-1253
3-(2-hydroxyethyl)-2-[(E)-2-(5-nitro-3-furyl)-1-ethenyl]-4(3H)-quinazolinone

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

F235-1253

Molecular Formula

C16H13N3O5 (C16 H13 N3 O5)

Compound Name

3-(2-hydroxyethyl)-2-[(E)-2-(5-nitro-3-furyl)-1-ethenyl]-4(3H)-quinazolinone

IUPAC name

3-(2-hydroxyethyl)-2-[(1E)-2-(5-nitrofuran-3-yl)ethenyl]-34-dihydroquinazolin-4-one

SMILES

[O-][N+](c1cc(/C=C/C(N2CCO)=Nc(cccc3)c3C2=O)co1)=O

InChI

InChI=1S/C16H13N3O5/c20-8-7-18-14(6-5-11-9-15(19(22)23)24-10-11)17-13-4-2-1-3-12(13)16(18)21/h1-6,9-10,20H,7-8H2

InChI Key

KYXMGVKAQJHGOL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03192616

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

327.3

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.845

Distribution Coefficient, logD

0.845

Water Solubility, LogSw

-2.19

Polar Surface Area

86.038

Acid Dissociation Constant (pKa)

15.18

Base Dissociation Constant (pKb)

1.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

F235-1253 in Drug Discovery

Included in Screening Libraries

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

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with F235-1253 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F235-1253?
Check Price and Availability of F235-1253, 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 F235-1253 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F235-1253
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F235-1253
  • 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 F235-1253 available by request