8019-5800 Screening compound: 2-[3-methoxy-4-(prop-2-yn-1-yloxy)phenyl]-1,3-bis(4-methylphenyl)imidazolidine

8019-5800 Screening compound: 2-[3-methoxy-4-(prop-2-yn-1-yloxy)phenyl]-1,3-bis(4-methylphenyl)imidazolidine
8019-5800 Screening compound: 2-[3-methoxy-4-(prop-2-yn-1-yloxy)phenyl]-1,3-bis(4-methylphenyl)imidazolidine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8019-5800
2-[3-methoxy-4-(prop-2-yn-1-yloxy)phenyl]-1,3-bis(4-methylphenyl)imidazolidine

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

8019-5800

Molecular Formula

C27H28N2O2 (C27 H28 N2 O2)

Compound Name

2-[3-methoxy-4-(prop-2-yn-1-yloxy)phenyl]-1,3-bis(4-methylphenyl)imidazolidine

IUPAC name

2-[3-methoxy-4-(prop-2-yn-1-yloxy)phenyl]-13-bis(4-methylphenyl)imidazolidine

SMILES

Cc(cc1)ccc1N(CC1)C(c(cc2)cc(OC)c2OCC#C)N1c1ccc(C)cc1

InChI

InChI=1S/C27H28N2O2/c1-5-18-31-25-15-10-22(19-26(25)30-4)27-28(23-11-6-20(2)7-12-23)16-17-29(27)24-13-8-21(3)9-14-24/h1,6-15,19,27H,16-18H2,2-4H3

InChI Key

PGGMWEVMWGASAA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD10038359

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

412.53

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.850

Distribution Coefficient, logD

5.850

Water Solubility, LogSw

-5.62

Polar Surface Area

21.322

Acid Dissociation Constant (pKa)

23.14

Base Dissociation Constant (pKb)

2.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.90

8019-5800 in Drug Discovery

Included in Screening Libraries

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

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 8019-5800 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-5800?
Check Price and Availability of 8019-5800, 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 8019-5800 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-5800
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-5800
  • 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 8019-5800 available by request