CM4573-1326 Screening compound: 3-(3-{4,4-DIFLUORO-2-[(PIPERIDIN-1-YL)METHYL]PYRROLIDIN-1-YL}-3-OXOPROPYL)-2,3-DIHYDRO-1,3-BENZOXAZOL-2-ONE

CM4573-1326 Screening compound: 3-(3-{4,4-DIFLUORO-2-[(PIPERIDIN-1-YL)METHYL]PYRROLIDIN-1-YL}-3-OXOPROPYL)-2,3-DIHYDRO-1,3-BENZOXAZOL-2-ONE
CM4573-1326 Screening compound: 3-(3-{4,4-DIFLUORO-2-[(PIPERIDIN-1-YL)METHYL]PYRROLIDIN-1-YL}-3-OXOPROPYL)-2,3-DIHYDRO-1,3-BENZOXAZOL-2-ONE alternative view

Chemical Structure Depiction of ChemDiv screening compound CM4573-1326
3-(3-{4,4-DIFLUORO-2-[(PIPERIDIN-1-YL)METHYL]PYRROLIDIN-1-YL}-3-OXOPROPYL)-2,3-DIHYDRO-1,3-BENZOXAZOL-2-ONE

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

CM4573-1326

Molecular Formula

C20H25F2N3O3 (C20 H25 F2 N3 O3)

Compound Name

3-(3-{4,4-DIFLUORO-2-[(PIPERIDIN-1-YL)METHYL]PYRROLIDIN-1-YL}-3-OXOPROPYL)-2,3-DIHYDRO-1,3-BENZOXAZOL-2-ONE

IUPAC name

3-{3-[(2S)-44-difluoro-2-[(piperidin-1-yl)methyl]pyrrolidin-1-yl]-3-oxopropyl}-23-dihydro-13-benzoxazol-2-one

SMILES

O=C(CCN(c(cccc1)c1O1)C1=O)N(C1)[C@H](CN2CCCCC2)CC1(F)F

InChI

InChI=1S/C20H25F2N3O3/c21-20(22)12-15(13-23-9-4-1-5-10-23)25(14-20)18(26)8-11-24-16-6-2-3-7-17(16)28-19(24)27/h2-3,6-7,15H,1,4-5,8-14H2/t15-/m1/s1

InChI Key

JACWAAAQFYMNRU-OAHLLOKOSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

393.43

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.390

Distribution Coefficient, logD

2.322

Water Solubility, LogSw

-2.82

Polar Surface Area

43.116

Acid Dissociation Constant (pKa)

24.21

Base Dissociation Constant (pKb)

6.63

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

60.00

CM4573-1326 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

CNS MPO Library (28609 compounds)

CNS Targets (44014 compounds)

Natural-Product-Based Library (3730 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system
Structure:
  • Pool
  • Mimetics
Mechanism of action:
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with CM4573-1326 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound CM4573-1326?
Check Price and Availability of CM4573-1326, 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 CM4573-1326 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for CM4573-1326
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for CM4573-1326
  • 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 CM4573-1326 available by request