CM4573-7662 Screening compound: (2S)-2-[3,4-dihydro-2(1H)-isoquinolinylmethyl]-4,4-difluorotetrahydro-1H-pyrrol-1-yl (2-fluorophenyl) sulfone

CM4573-7662 Screening compound: (2S)-2-[3,4-dihydro-2(1H)-isoquinolinylmethyl]-4,4-difluorotetrahydro-1H-pyrrol-1-yl (2-fluorophenyl) sulfone
CM4573-7662 Screening compound: (2S)-2-[3,4-dihydro-2(1H)-isoquinolinylmethyl]-4,4-difluorotetrahydro-1H-pyrrol-1-yl (2-fluorophenyl) sulfone alternative view

Chemical Structure Depiction of ChemDiv screening compound CM4573-7662
(2S)-2-[3,4-dihydro-2(1H)-isoquinolinylmethyl]-4,4-difluorotetrahydro-1H-pyrrol-1-yl (2-fluorophenyl) sulfone

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

CM4573-7662

Molecular Formula

C20H21F3N2O2S (C20 H21 F3 N2 O2 S)

Compound Name

(2S)-2-[3,4-dihydro-2(1H)-isoquinolinylmethyl]-4,4-difluorotetrahydro-1H-pyrrol-1-yl (2-fluorophenyl) sulfone

IUPAC name

2-{[(2S)-44-difluoro-1-(2-fluorobenzenesulfonyl)pyrrolidin-2-yl]methyl}-1234-tetrahydroisoquinoline

SMILES

O=S(c(cccc1)c1F)(N(C1)[C@H](CN(CC2)Cc3c2cccc3)CC1(F)F)=O

InChI

InChI=1S/C20H21F3N2O2S/c21-18-7-3-4-8-19(18)28(26,27)25-14-20(22,23)11-17(25)13-24-10-9-15-5-1-2-6-16(15)12-24/h1-8,17H,9-14H2/t17-/m0/s1

InChI Key

WOEZBAZNMQSCAI-KRWDZBQOSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

410.46

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.584

Distribution Coefficient, logD

3.584

Water Solubility, LogSw

-3.58

Polar Surface Area

36.066

Acid Dissociation Constant (pKa)

25.68

Base Dissociation Constant (pKb)

3.85

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.00

CM4573-7662 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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 CM4573-7662 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound CM4573-7662?
Check Price and Availability of CM4573-7662, 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 CM4573-7662 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for CM4573-7662
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for CM4573-7662
  • 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 CM4573-7662 available by request