D398-0461 Screening compound: 3-(4-methoxyphenyl)-1-[2-(2-methylphenyl)pyrrolidin-1-yl]propan-1-one

D398-0461 Screening compound: 3-(4-methoxyphenyl)-1-[2-(2-methylphenyl)pyrrolidin-1-yl]propan-1-one
D398-0461 Screening compound: 3-(4-methoxyphenyl)-1-[2-(2-methylphenyl)pyrrolidin-1-yl]propan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D398-0461
3-(4-methoxyphenyl)-1-[2-(2-methylphenyl)pyrrolidin-1-yl]propan-1-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

D398-0461

Molecular Formula

C21H25NO2 (C21 H25 NO2)

Compound Name

3-(4-methoxyphenyl)-1-[2-(2-methylphenyl)pyrrolidin-1-yl]propan-1-one

IUPAC name

3-(4-methoxyphenyl)-1-[2-(2-methylphenyl)pyrrolidin-1-yl]propan-1-one

SMILES

Cc1c(C(CCC2)N2C(CCc(cc2)ccc2OC)=O)cccc1

InChI

InChI=1S/C21H25NO2/c1-16-6-3-4-7-19(16)20-8-5-15-22(20)21(23)14-11-17-9-12-18(24-2)13-10-17/h3-4,6-7,9-10,12-13,20H,5,8,11,14-15H2,1-2H3/t20-/m0/s1

InChI Key

OGLIWWFSFNUOFU-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD27583394

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

323.44

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.251

Distribution Coefficient, logD

4.251

Water Solubility, LogSw

-4.19

Polar Surface Area

23.691

Acid Dissociation Constant (pKa)

23.24

Base Dissociation Constant (pKb)

-4.40

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.10

D398-0461 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Cardiovascular Library (22201 compounds)

Protein-Protein Interaction Library (218420 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Cardiovascular
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Mechanism of action:
  • Epigenetic
  • PPI modulators
Targets:
  • Proteases
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with D398-0461 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D398-0461?
Check Price and Availability of D398-0461, 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 D398-0461 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D398-0461
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D398-0461
  • 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 D398-0461 available by request