C301-0316 Screening compound: (2Z)-4-(4-ethoxyphenyl)-2-hydroxy-N-(2-methoxy-4-nitrophenyl)-4-oxobut-2-enamide

C301-0316 Screening compound: (2Z)-4-(4-ethoxyphenyl)-2-hydroxy-N-(2-methoxy-4-nitrophenyl)-4-oxobut-2-enamide
C301-0316 Screening compound: (2Z)-4-(4-ethoxyphenyl)-2-hydroxy-N-(2-methoxy-4-nitrophenyl)-4-oxobut-2-enamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C301-0316
(2Z)-4-(4-ethoxyphenyl)-2-hydroxy-N-(2-methoxy-4-nitrophenyl)-4-oxobut-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

C301-0316

Molecular Formula

C19H18N2O7 (C19 H18 N2 O7)

Compound Name

(2Z)-4-(4-ethoxyphenyl)-2-hydroxy-N-(2-methoxy-4-nitrophenyl)-4-oxobut-2-enamide

IUPAC name

(2Z)-4-(4-ethoxyphenyl)-2-hydroxy-N-(2-methoxy-4-nitrophenyl)-4-oxobut-2-enamide

SMILES

CCOc(cc1)ccc1C(/C=C(/C(Nc(ccc([N+]([O-])=O)c1)c1OC)=O)\O)=O

InChI

InChI=1S/C19H18N2O7/c1-3-28-14-7-4-12(5-8-14)16(22)11-17(23)19(24)20-15-9-6-13(21(25)26)10-18(15)27-2/h4-11,23H,3H2,1-2H3,(H,20,24)

InChI Key

XVSOGMMLBCKRGH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14741753

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

386.36

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.980

Distribution Coefficient, logD

1.387

Water Solubility, LogSw

-3.44

Polar Surface Area

99.576

Acid Dissociation Constant (pKa)

5.82

Base Dissociation Constant (pKb)

-2.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.80

References: we are preparing a list of scientific research reports with C301-0316 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C301-0316?
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What is the minimum amount of C301-0316 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C301-0316
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C301-0316
  • 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 C301-0316 available by request