CM4573-4141 Screening compound: 1-[((2S)-1-{[3-(2,5-dimethoxyphenyl)-1H-pyrazol-4-yl]methyl}-4,4-difluorotetrahydro-1H-pyrrol-2-yl)methyl]azepane

CM4573-4141 Screening compound: 1-[((2S)-1-{[3-(2,5-dimethoxyphenyl)-1H-pyrazol-4-yl]methyl}-4,4-difluorotetrahydro-1H-pyrrol-2-yl)methyl]azepane
CM4573-4141 Screening compound: 1-[((2S)-1-{[3-(2,5-dimethoxyphenyl)-1H-pyrazol-4-yl]methyl}-4,4-difluorotetrahydro-1H-pyrrol-2-yl)methyl]azepane alternative view

Chemical Structure Depiction of ChemDiv screening compound CM4573-4141
1-[((2S)-1-{[3-(2,5-dimethoxyphenyl)-1H-pyrazol-4-yl]methyl}-4,4-difluorotetrahydro-1H-pyrrol-2-yl)methyl]azepane

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

CM4573-4141

Molecular Formula

C23H32F2N4O2 (C23 H32 F2 N4 O2)

Compound Name

1-[((2S)-1-{[3-(2,5-dimethoxyphenyl)-1H-pyrazol-4-yl]methyl}-4,4-difluorotetrahydro-1H-pyrrol-2-yl)methyl]azepane

IUPAC name

n/a

SMILES

COc(cc1)cc(-c2n[nH]cc2CN(C2)[C@H](CN3CCCCCC3)CC2(F)F)c1OC

InChI

InChI=1S/C23H32F2N4O2/c1-30-19-7-8-21(31-2)20(11-19)22-17(13-26-27-22)14-29-16-23(24,25)12-18(29)15-28-9-5-3-4-6-10-28/h7-8,11,13,18H,3-6,9-10,12,14-16H2,1-2H3,(H,26,27)/t18-/m1/s1

InChI Key

HPXTZXJKFBZRGE-GOSISDBHSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

434.53

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

3.690

Distribution Coefficient, logD

3.631

Water Solubility, LogSw

-4.00

Polar Surface Area

47.510

Acid Dissociation Constant (pKa)

13.92

Base Dissociation Constant (pKb)

6.57

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

60.90

CM4573-4141 in Drug Discovery

Included in Screening Libraries

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

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with CM4573-4141 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound CM4573-4141?
Check Price and Availability of CM4573-4141, 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 CM4573-4141 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for CM4573-4141
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for CM4573-4141
  • 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 CM4573-4141 available by request