CM4572-7199 Screening compound: (4-chloro-2-methoxyphenyl){(2S)-2-[3,4-dihydro-2(1H)-isoquinolinylcarbonyl]-4,4-difluorotetrahydro-1H-pyrrol-1-yl}methanone

CM4572-7199 Screening compound: (4-chloro-2-methoxyphenyl){(2S)-2-[3,4-dihydro-2(1H)-isoquinolinylcarbonyl]-4,4-difluorotetrahydro-1H-pyrrol-1-yl}methanone
CM4572-7199 Screening compound: (4-chloro-2-methoxyphenyl){(2S)-2-[3,4-dihydro-2(1H)-isoquinolinylcarbonyl]-4,4-difluorotetrahydro-1H-pyrrol-1-yl}methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound CM4572-7199
(4-chloro-2-methoxyphenyl){(2S)-2-[3,4-dihydro-2(1H)-isoquinolinylcarbonyl]-4,4-difluorotetrahydro-1H-pyrrol-1-yl}methanone

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

CM4572-7199

Molecular Formula

C22H21ClF2N2O3 (C22 H21 ClF2 N2 O3)

Compound Name

(4-chloro-2-methoxyphenyl){(2S)-2-[3,4-dihydro-2(1H)-isoquinolinylcarbonyl]-4,4-difluorotetrahydro-1H-pyrrol-1-yl}methanone

IUPAC name

2-[(2S)-1-(4-chloro-2-methoxybenzoyl)-44-difluoropyrrolidine-2-carbonyl]-1234-tetrahydroisoquinoline

SMILES

COc(cc(cc1)Cl)c1C(N(CC(C1)(F)F)[C@@H]1C(N(CC1)Cc2c1cccc2)=O)=O

InChI

InChI=1S/C22H21ClF2N2O3/c1-30-19-10-16(23)6-7-17(19)20(28)27-13-22(24,25)11-18(27)21(29)26-9-8-14-4-2-3-5-15(14)12-26/h2-7,10,18H,8-9,11-13H2,1H3/t18-/m0/s1

InChI Key

SBRYQCCDURIXEB-SFHVURJKSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

434.87

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.219

Distribution Coefficient, logD

4.219

Water Solubility, LogSw

-4.58

Polar Surface Area

40.821

Acid Dissociation Constant (pKa)

18.76

Base Dissociation Constant (pKb)

-4.17

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.36

CM4572-7199 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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 CM4572-7199 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound CM4572-7199?
Check Price and Availability of CM4572-7199, 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 CM4572-7199 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for CM4572-7199
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for CM4572-7199
  • 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 CM4572-7199 available by request