CM4572-7250 Screening compound: 4-[4,4-difluoro-2-(1,2,3,4-tetrahydroisoquinoline-2-carbonyl)pyrrolidine-1-carbonyl]-N,N-diethylaniline

CM4572-7250 Screening compound: 4-[4,4-difluoro-2-(1,2,3,4-tetrahydroisoquinoline-2-carbonyl)pyrrolidine-1-carbonyl]-N,N-diethylaniline
CM4572-7250 Screening compound: 4-[4,4-difluoro-2-(1,2,3,4-tetrahydroisoquinoline-2-carbonyl)pyrrolidine-1-carbonyl]-N,N-diethylaniline alternative view

Chemical Structure Depiction of ChemDiv screening compound CM4572-7250
4-[4,4-difluoro-2-(1,2,3,4-tetrahydroisoquinoline-2-carbonyl)pyrrolidine-1-carbonyl]-N,N-diethylaniline

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

CM4572-7250

Molecular Formula

C25H29F2N3O2 (C25 H29 F2 N3 O2)

Compound Name

4-[4,4-difluoro-2-(1,2,3,4-tetrahydroisoquinoline-2-carbonyl)pyrrolidine-1-carbonyl]-N,N-diethylaniline

IUPAC name

4-[(2S)-44-difluoro-2-(1234-tetrahydroisoquinoline-2-carbonyl)pyrrolidine-1-carbonyl]-NN-diethylaniline

SMILES

CCN(CC)c(cc1)ccc1C(N(CC(C1)(F)F)[C@@H]1C(N(CC1)Cc2c1cccc2)=O)=O

InChI

InChI=1S/C25H29F2N3O2/c1-3-28(4-2)21-11-9-19(10-12-21)23(31)30-17-25(26,27)15-22(30)24(32)29-14-13-18-7-5-6-8-20(18)16-29/h5-12,22H,3-4,13-17H2,1-2H3/t22-/m1/s1

InChI Key

AEYLNYAGXPMRDA-JOCHJYFZSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

441.52

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.121

Distribution Coefficient, logD

4.119

Water Solubility, LogSw

-4.05

Polar Surface Area

35.926

Acid Dissociation Constant (pKa)

18.76

Base Dissociation Constant (pKb)

8.48

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

44.00

CM4572-7250 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 CM4572-7250 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound CM4572-7250?
Check Price and Availability of CM4572-7250, 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 CM4572-7250 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for CM4572-7250
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for CM4572-7250
  • 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 CM4572-7250 available by request