E959-0936 Screening compound: ethyl 4-{[3,4-dioxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)cyclobut-1-en-1-yl]amino}benzoate

E959-0936 Screening compound: ethyl 4-{[3,4-dioxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)cyclobut-1-en-1-yl]amino}benzoate
E959-0936 Screening compound: ethyl 4-{[3,4-dioxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)cyclobut-1-en-1-yl]amino}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound E959-0936
ethyl 4-{[3,4-dioxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)cyclobut-1-en-1-yl]amino}benzoate

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

E959-0936

Molecular Formula

C23H21NO4 (C23 H21 NO4)

Compound Name

ethyl 4-{[3,4-dioxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)cyclobut-1-en-1-yl]amino}benzoate

IUPAC name

ethyl 4-{[34-dioxo-2-(5678-tetrahydronaphthalen-2-yl)cyclobut-1-en-1-yl]amino}benzoate

SMILES

CCOC(c(cc1)ccc1NC(C(C1=O)=O)=C1c1cc(CCCC2)c2cc1)=O

InChI

InChI=1S/C23H21NO4/c1-2-28-23(27)15-9-11-18(12-10-15)24-20-19(21(25)22(20)26)17-8-7-14-5-3-4-6-16(14)13-17/h7-13,24H,2-6H2,1H3

InChI Key

NZFCGTMPNOLOPU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14933200

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

375.42

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.137

Distribution Coefficient, logD

5.134

Water Solubility, LogSw

-5.04

Polar Surface Area

56.569

Acid Dissociation Constant (pKa)

9.61

Base Dissociation Constant (pKb)

-0.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.10

E959-0936 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with E959-0936 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E959-0936?
Check Price and Availability of E959-0936, 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 E959-0936 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E959-0936
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E959-0936
  • 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 E959-0936 available by request