E511-0789 Screening compound: ethyl 3-({3,4-dioxo-2-[4-(propan-2-yl)phenyl]cyclobut-1-en-1-yl}amino)benzoate

E511-0789 Screening compound: ethyl 3-({3,4-dioxo-2-[4-(propan-2-yl)phenyl]cyclobut-1-en-1-yl}amino)benzoate
E511-0789 Screening compound: ethyl 3-({3,4-dioxo-2-[4-(propan-2-yl)phenyl]cyclobut-1-en-1-yl}amino)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound E511-0789
ethyl 3-({3,4-dioxo-2-[4-(propan-2-yl)phenyl]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

E511-0789

Molecular Formula

C22H21NO4 (C22 H21 NO4)

Compound Name

ethyl 3-({3,4-dioxo-2-[4-(propan-2-yl)phenyl]cyclobut-1-en-1-yl}amino)benzoate

IUPAC name

ethyl 3-({34-dioxo-2-[4-(propan-2-yl)phenyl]cyclobut-1-en-1-yl}amino)benzoate

SMILES

CCOC(c1cccc(NC(C(C2=O)=O)=C2c2ccc(C(C)C)cc2)c1)=O

InChI

InChI=1S/C22H21NO4/c1-4-27-22(26)16-6-5-7-17(12-16)23-19-18(20(24)21(19)25)15-10-8-14(9-11-15)13(2)3/h5-13,23H,4H2,1-3H3

InChI Key

PUFLGEHQRYRYTC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14856144

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

363.41

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.303

Distribution Coefficient, logD

5.302

Water Solubility, LogSw

-5.40

Polar Surface Area

56.648

Acid Dissociation Constant (pKa)

10.00

Base Dissociation Constant (pKb)

0.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

E511-0789 in Drug Discovery

Included in Screening Libraries

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 E511-0789 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E511-0789?
Check Price and Availability of E511-0789, 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 E511-0789 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E511-0789
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E511-0789
  • 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 E511-0789 available by request