S512-0090 Screening compound: 1-(3-methoxybenzoyl)-3-phenoxypyrrolidine

S512-0090 Screening compound: 1-(3-methoxybenzoyl)-3-phenoxypyrrolidine
S512-0090 Screening compound: 1-(3-methoxybenzoyl)-3-phenoxypyrrolidine alternative view

Chemical Structure Depiction of ChemDiv screening compound S512-0090
1-(3-methoxybenzoyl)-3-phenoxypyrrolidine

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

S512-0090

Molecular Formula

C18H19NO3 (C18 H19 NO3)

Compound Name

1-(3-methoxybenzoyl)-3-phenoxypyrrolidine

IUPAC name

1-(3-methoxybenzoyl)-3-phenoxypyrrolidine

SMILES

COc1cccc(C(N(CC2)CC2Oc2ccccc2)=O)c1

InChI

InChI=1S/C18H19NO3/c1-21-16-9-5-6-14(12-16)18(20)19-11-10-17(13-19)22-15-7-3-2-4-8-15/h2-9,12,17H,10-11,13H2,1H3/t17-/m1/s1

InChI Key

DHRLEQIBUMARAC-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD30462527

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

297.35

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.858

Distribution Coefficient, logD

2.858

Water Solubility, LogSw

-3.22

Polar Surface Area

30.992

Acid Dissociation Constant (pKa)

26.87

Base Dissociation Constant (pKb)

-4.77

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.78

S512-0090 in Drug Discovery

Included in Screening Libraries

3D-Fragment Library (4274 compounds)

Antimitotic Tubulin Library (17355 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Fragments
  • Cyclic compounds
Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with S512-0090 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S512-0090?
Check Price and Availability of S512-0090, 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 S512-0090 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S512-0090
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S512-0090
  • 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 S512-0090 available by request