E786-0187 Screening compound: 3-({3-[benzyl(methyl)amino]propyl}amino)-4-(4-chlorophenyl)cyclobut-3-ene-1,2-dione

E786-0187 Screening compound: 3-({3-[benzyl(methyl)amino]propyl}amino)-4-(4-chlorophenyl)cyclobut-3-ene-1,2-dione
E786-0187 Screening compound: 3-({3-[benzyl(methyl)amino]propyl}amino)-4-(4-chlorophenyl)cyclobut-3-ene-1,2-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound E786-0187
3-({3-[benzyl(methyl)amino]propyl}amino)-4-(4-chlorophenyl)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

E786-0187

Molecular Formula

C21H21ClN2O2 (C21 H21 ClN2 O2)

Compound Name

3-({3-[benzyl(methyl)amino]propyl}amino)-4-(4-chlorophenyl)cyclobut-3-ene-1,2-dione

IUPAC name

3-({3-[benzyl(methyl)amino]propyl}amino)-4-(4-chlorophenyl)cyclobut-3-ene-12-dione

SMILES

CN(CCCNC(C(C1=O)=O)=C1c(cc1)ccc1Cl)Cc1ccccc1

InChI

InChI=1S/C21H21ClN2O2/c1-24(14-15-6-3-2-4-7-15)13-5-12-23-19-18(20(25)21(19)26)16-8-10-17(22)11-9-16/h2-4,6-11,23H,5,12-14H2,1H3

InChI Key

PMWUSHFNCIOZTK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14918586

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

368.86

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.404

Distribution Coefficient, logD

1.919

Water Solubility, LogSw

-4.05

Polar Surface Area

41.152

Acid Dissociation Constant (pKa)

13.57

Base Dissociation Constant (pKb)

8.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

E786-0187 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with E786-0187 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E786-0187?
Check Price and Availability of E786-0187, 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 E786-0187 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E786-0187
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E786-0187
  • 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 E786-0187 available by request