E959-0875 Screening compound: 3-[(5-chloro-2-methylphenyl)amino]-4-(5,6,7,8-tetrahydronaphthalen-2-yl)cyclobut-3-ene-1,2-dione

E959-0875 Screening compound: 3-[(5-chloro-2-methylphenyl)amino]-4-(5,6,7,8-tetrahydronaphthalen-2-yl)cyclobut-3-ene-1,2-dione
E959-0875 Screening compound: 3-[(5-chloro-2-methylphenyl)amino]-4-(5,6,7,8-tetrahydronaphthalen-2-yl)cyclobut-3-ene-1,2-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound E959-0875
3-[(5-chloro-2-methylphenyl)amino]-4-(5,6,7,8-tetrahydronaphthalen-2-yl)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

E959-0875

Molecular Formula

C21H18ClNO2 (C21 H18 ClNO2)

Compound Name

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

IUPAC name

3-[(5-chloro-2-methylphenyl)amino]-4-(5678-tetrahydronaphthalen-2-yl)cyclobut-3-ene-12-dione

SMILES

Cc(ccc(Cl)c1)c1NC(C(C1=O)=O)=C1c1cc(CCCC2)c2cc1

InChI

InChI=1S/C21H18ClNO2/c1-12-6-9-16(22)11-17(12)23-19-18(20(24)21(19)25)15-8-7-13-4-2-3-5-14(13)10-15/h6-11,23H,2-5H2,1H3

InChI Key

ZSSZRKPRGUEAQP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14933174

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

351.83

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.316

Distribution Coefficient, logD

5.309

Water Solubility, LogSw

-5.84

Polar Surface Area

35.117

Acid Dissociation Constant (pKa)

9.18

Base Dissociation Constant (pKb)

-4.80

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

E959-0875 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 E959-0875 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E959-0875?
Check Price and Availability of E959-0875, 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 E959-0875 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E959-0875
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E959-0875
  • 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 E959-0875 available by request