E470-0602 Screening compound: 3-(3,4-dimethylphenyl)-4-[(3-fluorophenyl)amino]cyclobut-3-ene-1,2-dione

E470-0602 Screening compound: 3-(3,4-dimethylphenyl)-4-[(3-fluorophenyl)amino]cyclobut-3-ene-1,2-dione
E470-0602 Screening compound: 3-(3,4-dimethylphenyl)-4-[(3-fluorophenyl)amino]cyclobut-3-ene-1,2-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound E470-0602
3-(3,4-dimethylphenyl)-4-[(3-fluorophenyl)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

E470-0602

Molecular Formula

C18H14FNO2 (C18 H14 FNO2)

Compound Name

3-(3,4-dimethylphenyl)-4-[(3-fluorophenyl)amino]cyclobut-3-ene-1,2-dione

IUPAC name

3-(34-dimethylphenyl)-4-[(3-fluorophenyl)amino]cyclobut-3-ene-12-dione

SMILES

Cc(cc1)c(C)cc1C(C(C1=O)=O)=C1Nc1cccc(F)c1

InChI

InChI=1S/C18H14FNO2/c1-10-6-7-12(8-11(10)2)15-16(18(22)17(15)21)20-14-5-3-4-13(19)9-14/h3-9,20H,1-2H3

InChI Key

GUAOPAKLIWDWSP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14854801

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

295.31

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

4.301

Distribution Coefficient, logD

4.297

Water Solubility, LogSw

-4.32

Polar Surface Area

35.894

Acid Dissociation Constant (pKa)

9.42

Base Dissociation Constant (pKb)

-3.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

E470-0602 in Drug Discovery

Included in Screening Libraries

NOTUM (Wnt signaling) Library (3881 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 E470-0602 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E470-0602?
Check Price and Availability of E470-0602, 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 E470-0602 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E470-0602
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E470-0602
  • 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 E470-0602 available by request