CM4573-7708 Screening compound: 2-{[4,4-DIFLUORO-1-(2-METHYLBENZENESULFONYL)PYRROLIDIN-2-YL]METHYL}-1,2,3,4-TETRAHYDROISOQUINOLINE

CM4573-7708 Screening compound: 2-{[4,4-DIFLUORO-1-(2-METHYLBENZENESULFONYL)PYRROLIDIN-2-YL]METHYL}-1,2,3,4-TETRAHYDROISOQUINOLINE
CM4573-7708 Screening compound: 2-{[4,4-DIFLUORO-1-(2-METHYLBENZENESULFONYL)PYRROLIDIN-2-YL]METHYL}-1,2,3,4-TETRAHYDROISOQUINOLINE alternative view

Chemical Structure Depiction of ChemDiv screening compound CM4573-7708
2-{[4,4-DIFLUORO-1-(2-METHYLBENZENESULFONYL)PYRROLIDIN-2-YL]METHYL}-1,2,3,4-TETRAHYDROISOQUINOLINE

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

CM4573-7708

Molecular Formula

C21H24F2N2O2S (C21 H24 F2 N2 O2 S)

Compound Name

2-{[4,4-DIFLUORO-1-(2-METHYLBENZENESULFONYL)PYRROLIDIN-2-YL]METHYL}-1,2,3,4-TETRAHYDROISOQUINOLINE

IUPAC name

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

SMILES

Cc(cccc1)c1S(N(C1)[C@H](CN(CC2)Cc3c2cccc3)CC1(F)F)(=O)=O

InChI

InChI=1S/C21H24F2N2O2S/c1-16-6-2-5-9-20(16)28(26,27)25-15-21(22,23)12-19(25)14-24-11-10-17-7-3-4-8-18(17)13-24/h2-9,19H,10-15H2,1H3/t19-/m0/s1

InChI Key

WKBLPQBPNGTSHW-IBGZPJMESA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

406.5

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

3.849

Distribution Coefficient, logD

3.849

Water Solubility, LogSw

-3.83

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

42.86

CM4573-7708 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 CM4573-7708 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound CM4573-7708?
Check Price and Availability of CM4573-7708, 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 CM4573-7708 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for CM4573-7708
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for CM4573-7708
  • 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 CM4573-7708 available by request