E959-0898 Screening compound: 3-[(4-fluorophenyl)amino]-4-(5,6,7,8-tetrahydronaphthalen-2-yl)cyclobut-3-ene-1,2-dione

E959-0898 Screening compound: 3-[(4-fluorophenyl)amino]-4-(5,6,7,8-tetrahydronaphthalen-2-yl)cyclobut-3-ene-1,2-dione
E959-0898 Screening compound: 3-[(4-fluorophenyl)amino]-4-(5,6,7,8-tetrahydronaphthalen-2-yl)cyclobut-3-ene-1,2-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound E959-0898
3-[(4-fluorophenyl)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

E959-0898

Molecular Formula

C20H16FNO2 (C20 H16 FNO2)

Compound Name

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

IUPAC name

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

SMILES

O=C(C1=O)C(c2cc(CCCC3)c3cc2)=C1Nc(cc1)ccc1F

InChI

InChI=1S/C20H16FNO2/c21-15-7-9-16(10-8-15)22-18-17(19(23)20(18)24)14-6-5-12-3-1-2-4-13(12)11-14/h5-11,22H,1-4H2

InChI Key

LQSDTVDBQNBZBE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14933183

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

321.35

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

4.564

Distribution Coefficient, logD

4.561

Water Solubility, LogSw

-4.56

Polar Surface Area

35.815

Acid Dissociation Constant (pKa)

9.50

Base Dissociation Constant (pKb)

-2.50

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

E959-0898 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 E959-0898 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E959-0898?
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What is the minimum amount of E959-0898 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E959-0898
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E959-0898
  • 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 E959-0898 available by request