4234-0134 Screening compound: (4-oxocyclohexa-2,5-dien-1-ylidene)amino 2,4-dimethoxybenzoate

4234-0134 Screening compound: (4-oxocyclohexa-2,5-dien-1-ylidene)amino 2,4-dimethoxybenzoate
4234-0134 Screening compound: (4-oxocyclohexa-2,5-dien-1-ylidene)amino 2,4-dimethoxybenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4234-0134
(4-oxocyclohexa-2,5-dien-1-ylidene)amino 2,4-dimethoxybenzoate

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

4234-0134

Molecular Formula

C15H13NO5 (C15 H13 NO5)

Compound Name

(4-oxocyclohexa-2,5-dien-1-ylidene)amino 2,4-dimethoxybenzoate

IUPAC name

(4-oxocyclohexa-25-dien-1-ylidene)amino 24-dimethoxybenzoate

SMILES

COc(cc1)cc(OC)c1C(ON=C(C=C1)C=CC1=O)=O

InChI

InChI=1S/C15H13NO5/c1-19-12-7-8-13(14(9-12)20-2)15(18)21-16-10-3-5-11(17)6-4-10/h3-9H,1-2H3

InChI Key

PUSIVUIITIMEIQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00727335

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

287.27

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.144

Distribution Coefficient, logD

2.144

Water Solubility, LogSw

-2.73

Polar Surface Area

61.012

Acid Dissociation Constant (pKa)

33.29

Base Dissociation Constant (pKb)

3.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.30

References: we are preparing a list of scientific research reports with 4234-0134 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4234-0134?
Check Price and Availability of 4234-0134, 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 4234-0134 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4234-0134
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4234-0134
  • 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 4234-0134 available by request