CM4573-0227 Screening compound: N-(3-chloro-2-fluorophenyl)-4,4-difluoro-2-[(pyrrolidin-1-yl)methyl]pyrrolidine-1-carboxamide

CM4573-0227 Screening compound: N-(3-chloro-2-fluorophenyl)-4,4-difluoro-2-[(pyrrolidin-1-yl)methyl]pyrrolidine-1-carboxamide
CM4573-0227 Screening compound: N-(3-chloro-2-fluorophenyl)-4,4-difluoro-2-[(pyrrolidin-1-yl)methyl]pyrrolidine-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound CM4573-0227
N-(3-chloro-2-fluorophenyl)-4,4-difluoro-2-[(pyrrolidin-1-yl)methyl]pyrrolidine-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

CM4573-0227

Molecular Formula

C16H19ClF3N3O (C16 H19 ClF3 N3 O)

Compound Name

N-(3-chloro-2-fluorophenyl)-4,4-difluoro-2-[(pyrrolidin-1-yl)methyl]pyrrolidine-1-carboxamide

IUPAC name

(2S)-N-(3-chloro-2-fluorophenyl)-44-difluoro-2-[(pyrrolidin-1-yl)methyl]pyrrolidine-1-carboxamide

SMILES

O=C(Nc1cccc(Cl)c1F)N(C1)[C@H](CN2CCCC2)CC1(F)F

InChI

InChI=1S/C16H19ClF3N3O/c17-12-4-3-5-13(14(12)18)21-15(24)23-10-16(19,20)8-11(23)9-22-6-1-2-7-22/h3-5,11H,1-2,6-10H2,(H,21,24)/t11-/m0/s1

InChI Key

CNCHPWICCPWUTI-NSHDSACASA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

361.79

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.414

Distribution Coefficient, logD

2.393

Water Solubility, LogSw

-3.67

Polar Surface Area

29.054

Acid Dissociation Constant (pKa)

10.71

Base Dissociation Constant (pKb)

8.38

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

56.25

CM4573-0227 in Drug Discovery

Included in Screening Libraries

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

CNS MPO Library (28609 compounds)

Natural-Product-Based Library (3730 compounds)

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Structure:
  • Pool
  • Mimetics
Mechanism of action:
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with CM4573-0227 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound CM4573-0227?
Check Price and Availability of CM4573-0227, 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 CM4573-0227 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for CM4573-0227
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for CM4573-0227
  • 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 CM4573-0227 available by request