4130-6251 Screening compound: (2E)-N-[(4-methoxyphenyl)methyl]-3-(3-nitrophenyl)prop-2-enamide

4130-6251 Screening compound: (2E)-N-[(4-methoxyphenyl)methyl]-3-(3-nitrophenyl)prop-2-enamide
4130-6251 Screening compound: (2E)-N-[(4-methoxyphenyl)methyl]-3-(3-nitrophenyl)prop-2-enamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4130-6251
(2E)-N-[(4-methoxyphenyl)methyl]-3-(3-nitrophenyl)prop-2-enamide

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

4130-6251

Molecular Formula

C17H16N2O4 (C17 H16 N2 O4)

Compound Name

(2E)-N-[(4-methoxyphenyl)methyl]-3-(3-nitrophenyl)prop-2-enamide

IUPAC name

(2E)-N-[(4-methoxyphenyl)methyl]-3-(3-nitrophenyl)prop-2-enamide

SMILES

COc1ccc(CNC(/C=C/c2cccc([N+]([O-])=O)c2)=O)cc1

InChI

InChI=1S/C17H16N2O4/c1-23-16-8-5-14(6-9-16)12-18-17(20)10-7-13-3-2-4-15(11-13)19(21)22/h2-11H,12H2,1H3,(H,18,20)

InChI Key

NJSUGAQZWKHOOK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02039230

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

312.33

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.294

Distribution Coefficient, logD

3.294

Water Solubility, LogSw

-3.56

Polar Surface Area

65.364

Acid Dissociation Constant (pKa)

14.16

Base Dissociation Constant (pKb)

0.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.80

4130-6251 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 4130-6251 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4130-6251?
Check Price and Availability of 4130-6251, 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 4130-6251 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4130-6251
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4130-6251
  • 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 4130-6251 available by request