4234-0137 Screening compound: (4-oxocyclohexa-2,5-dien-1-ylidene)amino 3-methoxybenzoate

4234-0137 Screening compound: (4-oxocyclohexa-2,5-dien-1-ylidene)amino 3-methoxybenzoate
4234-0137 Screening compound: (4-oxocyclohexa-2,5-dien-1-ylidene)amino 3-methoxybenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4234-0137
(4-oxocyclohexa-2,5-dien-1-ylidene)amino 3-methoxybenzoate

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

4234-0137

Molecular Formula

C14H11NO4 (C14 H11 NO4)

Compound Name

(4-oxocyclohexa-2,5-dien-1-ylidene)amino 3-methoxybenzoate

IUPAC name

(4-oxocyclohexa-25-dien-1-ylidene)amino 3-methoxybenzoate

SMILES

COc1cccc(C(ON=C(C=C2)C=CC2=O)=O)c1

InChI

InChI=1S/C14H11NO4/c1-18-13-4-2-3-10(9-13)14(17)19-15-11-5-7-12(16)8-6-11/h2-9H,1H3

InChI Key

CNTHMXBPKSWQFY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00723660

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

257.25

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.193

Distribution Coefficient, logD

2.193

Water Solubility, LogSw

-2.41

Polar Surface Area

53.382

Acid Dissociation Constant (pKa)

33.29

Base Dissociation Constant (pKb)

2.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.10

4234-0137 in Drug Discovery

Included in Screening Libraries

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 4234-0137 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4234-0137?
Check Price and Availability of 4234-0137, 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 4234-0137 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4234-0137
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4234-0137
  • 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 4234-0137 available by request