CM3442T-2780 Screening compound: 1-[(4-chloro-3-fluorophenyl)methyl]-N,N-dimethyl-4-(pyridin-4-yloxy)pyrrolidine-2-carboxamide

CM3442T-2780 Screening compound: 1-[(4-chloro-3-fluorophenyl)methyl]-N,N-dimethyl-4-(pyridin-4-yloxy)pyrrolidine-2-carboxamide
CM3442T-2780 Screening compound: 1-[(4-chloro-3-fluorophenyl)methyl]-N,N-dimethyl-4-(pyridin-4-yloxy)pyrrolidine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound CM3442T-2780
1-[(4-chloro-3-fluorophenyl)methyl]-N,N-dimethyl-4-(pyridin-4-yloxy)pyrrolidine-2-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

CM3442T-2780

Molecular Formula

C19H21ClFN3O2 (C19 H21 ClFN3 O2)

Compound Name

1-[(4-chloro-3-fluorophenyl)methyl]-N,N-dimethyl-4-(pyridin-4-yloxy)pyrrolidine-2-carboxamide

IUPAC name

(2S4R)-1-[(4-chloro-3-fluorophenyl)methyl]-NN-dimethyl-4-(pyridin-4-yloxy)pyrrolidine-2-carboxamide

SMILES

CN(C)C([C@H](C1)N(Cc(cc2)cc(F)c2Cl)C[C@@H]1Oc1ccncc1)=O

InChI

InChI=1S/C19H21ClFN3O2/c1-23(2)19(25)18-10-15(26-14-5-7-22-8-6-14)12-24(18)11-13-3-4-16(20)17(21)9-13/h3-9,15,18H,10-12H2,1-2H3/t15-,18-/m0/s1

InChI Key

OTEORICNOYTGGP-YJBOKZPZSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

377.85

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.656

Distribution Coefficient, logD

1.656

Water Solubility, LogSw

-2.58

Polar Surface Area

35.821

Acid Dissociation Constant (pKa)

18.66

Base Dissociation Constant (pKb)

3.20

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

36.84

CM3442T-2780 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Alpha-Helix Mimetics Library (25899 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with CM3442T-2780 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound CM3442T-2780?
Check Price and Availability of CM3442T-2780, 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 CM3442T-2780 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for CM3442T-2780
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for CM3442T-2780
  • 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 CM3442T-2780 available by request