E959-0927 Screening compound: 3-(5,6,7,8-tetrahydronaphthalen-2-yl)-4-[(3,4,5-trimethoxyphenyl)amino]cyclobut-3-ene-1,2-dione

E959-0927 Screening compound: 3-(5,6,7,8-tetrahydronaphthalen-2-yl)-4-[(3,4,5-trimethoxyphenyl)amino]cyclobut-3-ene-1,2-dione
E959-0927 Screening compound: 3-(5,6,7,8-tetrahydronaphthalen-2-yl)-4-[(3,4,5-trimethoxyphenyl)amino]cyclobut-3-ene-1,2-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound E959-0927
3-(5,6,7,8-tetrahydronaphthalen-2-yl)-4-[(3,4,5-trimethoxyphenyl)amino]cyclobut-3-ene-1,2-dione

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

E959-0927

Molecular Formula

C23H23NO5 (C23 H23 NO5)

Compound Name

3-(5,6,7,8-tetrahydronaphthalen-2-yl)-4-[(3,4,5-trimethoxyphenyl)amino]cyclobut-3-ene-1,2-dione

IUPAC name

3-(5678-tetrahydronaphthalen-2-yl)-4-[(345-trimethoxyphenyl)amino]cyclobut-3-ene-12-dione

SMILES

COc1cc(NC(C(C2=O)=O)=C2c2cc(CCCC3)c3cc2)cc(OC)c1OC

InChI

InChI=1S/C23H23NO5/c1-27-17-11-16(12-18(28-2)23(17)29-3)24-20-19(21(25)22(20)26)15-9-8-13-6-4-5-7-14(13)10-15/h8-12,24H,4-7H2,1-3H3

InChI Key

KSMSBIPCRCIJCY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14933195

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

393.44

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.916

Distribution Coefficient, logD

3.905

Water Solubility, LogSw

-4.03

Polar Surface Area

58.793

Acid Dissociation Constant (pKa)

9.01

Base Dissociation Constant (pKb)

-1.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.40

E959-0927 in Drug Discovery

Included in Screening Libraries

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

MDM2-p53 interaction inhibitors Library (21687 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with E959-0927 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E959-0927?
Check Price and Availability of E959-0927, 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 E959-0927 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E959-0927
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E959-0927
  • 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 E959-0927 available by request