CM4053-6095 Screening compound: 2-{1-[(2-chloro-3,4-dimethoxyphenyl)methyl]piperidin-3-yl}-N,N-dimethyl-1H-pyrrole-3-carboxamide

CM4053-6095 Screening compound: 2-{1-[(2-chloro-3,4-dimethoxyphenyl)methyl]piperidin-3-yl}-N,N-dimethyl-1H-pyrrole-3-carboxamide
CM4053-6095 Screening compound: 2-{1-[(2-chloro-3,4-dimethoxyphenyl)methyl]piperidin-3-yl}-N,N-dimethyl-1H-pyrrole-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound CM4053-6095
2-{1-[(2-chloro-3,4-dimethoxyphenyl)methyl]piperidin-3-yl}-N,N-dimethyl-1H-pyrrole-3-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

CM4053-6095

Molecular Formula

C21H28ClN3O3 (C21 H28 ClN3 O3)

Compound Name

2-{1-[(2-chloro-3,4-dimethoxyphenyl)methyl]piperidin-3-yl}-N,N-dimethyl-1H-pyrrole-3-carboxamide

IUPAC name

2-{1-[(2-chloro-34-dimethoxyphenyl)methyl]piperidin-3-yl}-NN-dimethyl-1H-pyrrole-3-carboxamide

SMILES

CN(C)C(c1c(C2CN(Cc(c(Cl)c3OC)ccc3OC)CCC2)[nH]cc1)=O

InChI

InChI=1S/C21H28ClN3O3/c1-24(2)21(26)16-9-10-23-19(16)15-6-5-11-25(13-15)12-14-7-8-17(27-3)20(28-4)18(14)22/h7-10,15,23H,5-6,11-13H2,1-4H3/t15-/m0/s1

InChI Key

ZFADLKWWECXNSW-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD30458779

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

405.92

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.423

Distribution Coefficient, logD

1.945

Water Solubility, LogSw

-3.63

Polar Surface Area

45.818

Acid Dissociation Constant (pKa)

16.78

Base Dissociation Constant (pKb)

7.70

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

47.62

CM4053-6095 in Drug Discovery

Included in Screening Libraries

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

CNS BBB Library (22607 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 CM4053-6095 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound CM4053-6095?
Check Price and Availability of CM4053-6095, 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 CM4053-6095 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for CM4053-6095
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for CM4053-6095
  • 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 CM4053-6095 available by request