8009-5909 Screening compound: N-(4-ethoxyphenyl)-2,2-bis(4-ethylphenyl)cyclopropane-1-carboxamide

8009-5909 Screening compound: N-(4-ethoxyphenyl)-2,2-bis(4-ethylphenyl)cyclopropane-1-carboxamide
8009-5909 Screening compound: N-(4-ethoxyphenyl)-2,2-bis(4-ethylphenyl)cyclopropane-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8009-5909
N-(4-ethoxyphenyl)-2,2-bis(4-ethylphenyl)cyclopropane-1-carboxamide

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

8009-5909

Molecular Formula

C28H31NO2 (C28 H31 NO2)

Compound Name

N-(4-ethoxyphenyl)-2,2-bis(4-ethylphenyl)cyclopropane-1-carboxamide

IUPAC name

N-(4-ethoxyphenyl)-22-bis(4-ethylphenyl)cyclopropane-1-carboxamide

SMILES

CCc1ccc(C(C2)(C2C(Nc(cc2)ccc2OCC)=O)c2ccc(CC)cc2)cc1

InChI

InChI=1S/C28H31NO2/c1-4-20-7-11-22(12-8-20)28(23-13-9-21(5-2)10-14-23)19-26(28)27(30)29-24-15-17-25(18-16-24)31-6-3/h7-18,26H,4-6,19H2,1-3H3,(H,29,30)/t26-/m1/s1

InChI Key

JKBGTPJESCYILY-AREMUKBSSA-N

MDL Number (MFCD)

MFCD01822068

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

413.56

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

7.336

Distribution Coefficient, logD

7.331

Water Solubility, LogSw

-5.75

Polar Surface Area

30.433

Acid Dissociation Constant (pKa)

9.29

Base Dissociation Constant (pKb)

1.87

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

32.10

8009-5909 in Drug Discovery

Included in Screening Libraries

3D Mimetics PPI Library (1617 compounds)

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

Epigenetics Focused Set (26518 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 8009-5909 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8009-5909?
Check Price and Availability of 8009-5909, 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 8009-5909 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8009-5909
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8009-5909
  • 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 8009-5909 available by request