8005-5972 Screening compound: N-(4-chloropyridin-2-yl)-2,2-bis(3-methylphenyl)cyclopropane-1-carboxamide

8005-5972 Screening compound: N-(4-chloropyridin-2-yl)-2,2-bis(3-methylphenyl)cyclopropane-1-carboxamide
8005-5972 Screening compound: N-(4-chloropyridin-2-yl)-2,2-bis(3-methylphenyl)cyclopropane-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8005-5972
N-(4-chloropyridin-2-yl)-2,2-bis(3-methylphenyl)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

8005-5972

Molecular Formula

C23H21ClN2O (C23 H21 ClN2 O)

Compound Name

N-(4-chloropyridin-2-yl)-2,2-bis(3-methylphenyl)cyclopropane-1-carboxamide

IUPAC name

N-(4-chloropyridin-2-yl)-22-bis(3-methylphenyl)cyclopropane-1-carboxamide

SMILES

Cc1cccc(C(C2)(C2C(Nc2nccc(Cl)c2)=O)c2cc(C)ccc2)c1

InChI

InChI=1S/C23H21ClN2O/c1-15-5-3-7-17(11-15)23(18-8-4-6-16(2)12-18)14-20(23)22(27)26-21-13-19(24)9-10-25-21/h3-13,20H,14H2,1-2H3,(H,25,26,27)/t20-/m1/s1

InChI Key

MMYMHQOBFZDDHW-HXUWFJFHSA-N

MDL Number (MFCD)

MFCD00684675

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

376.89

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.808

Distribution Coefficient, logD

4.222

Water Solubility, LogSw

-6.00

Polar Surface Area

32.925

Acid Dissociation Constant (pKa)

5.82

Base Dissociation Constant (pKb)

3.73

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

21.70

8005-5972 in Drug Discovery

Included in Screening Libraries

3D Mimetics PPI Library (1617 compounds)

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

?ysteine Targeted Covalent Library (39471 compounds)

Epigenetics Focused Set (26518 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 8005-5972 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8005-5972?
Check Price and Availability of 8005-5972, 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 8005-5972 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8005-5972
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8005-5972
  • 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 8005-5972 available by request