8013-7248 Screening compound: (E)-2-cyano-N~1~-(4-fluorophenyl)-3-(2-nitrophenyl)-2-propenamide

8013-7248 Screening compound: (E)-2-cyano-N~1~-(4-fluorophenyl)-3-(2-nitrophenyl)-2-propenamide
8013-7248 Screening compound: (E)-2-cyano-N~1~-(4-fluorophenyl)-3-(2-nitrophenyl)-2-propenamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-7248
(E)-2-cyano-N~1~-(4-fluorophenyl)-3-(2-nitrophenyl)-2-propenamide

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

8013-7248

Molecular Formula

C16H10FN3O3 (C16 H10 FN3 O3)

Compound Name

(E)-2-cyano-N~1~-(4-fluorophenyl)-3-(2-nitrophenyl)-2-propenamide

IUPAC name

(2E)-2-cyano-N-(4-fluorophenyl)-3-(2-nitrophenyl)prop-2-enamide

SMILES

N#C/C(/C(Nc(cc1)ccc1F)=O)=C\c(cccc1)c1[N+]([O-])=O

InChI

InChI=1S/C16H10FN3O3/c17-13-5-7-14(8-6-13)19-16(21)12(10-18)9-11-3-1-2-4-15(11)20(22)23/h1-9H,(H,19,21)

InChI Key

IUTOLZYZPYDJKD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02298156

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

311.27

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.253

Distribution Coefficient, logD

3.150

Water Solubility, LogSw

-3.77

Polar Surface Area

73.466

Acid Dissociation Constant (pKa)

7.97

Base Dissociation Constant (pKb)

-0.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

8013-7248 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8013-7248 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-7248?
Check Price and Availability of 8013-7248, 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 8013-7248 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-7248
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-7248
  • 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 8013-7248 available by request