0919-1543 Screening compound: (E)-4-(2-methoxy-5-nitroanilino)-4-oxo-2-butenoic acid

0919-1543 Screening compound: (E)-4-(2-methoxy-5-nitroanilino)-4-oxo-2-butenoic acid
0919-1543 Screening compound: (E)-4-(2-methoxy-5-nitroanilino)-4-oxo-2-butenoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 0919-1543
(E)-4-(2-methoxy-5-nitroanilino)-4-oxo-2-butenoic acid

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

0919-1543

Molecular Formula

C11H10N2O6 (C11 H10 N2 O6)

Compound Name

(E)-4-(2-methoxy-5-nitroanilino)-4-oxo-2-butenoic acid

IUPAC name

(2E)-3-[(2-methoxy-5-nitrophenyl)carbamoyl]prop-2-enoic acid

SMILES

COc(ccc([N+]([O-])=O)c1)c1NC(/C=C/C(O)=O)=O

InChI

InChI=1S/C11H10N2O6/c1-19-9-3-2-7(13(17)18)6-8(9)12-10(14)4-5-11(15)16/h2-6H,1H3,(H,12,14)(H,15,16)/b5-4+

InChI Key

MRKPTXZBUGDKNJ-SNAWJCMRSA-N

MDL Number (MFCD)

MFCD00846159

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

266.21

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.424

Distribution Coefficient, logD

-3.034

Water Solubility, LogSw

-2.14

Polar Surface Area

92.086

Acid Dissociation Constant (pKa)

2.94

Base Dissociation Constant (pKb)

1.47

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.09

0919-1543 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 0919-1543 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0919-1543?
Check Price and Availability of 0919-1543, 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 0919-1543 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0919-1543
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0919-1543
  • 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 0919-1543 available by request