S512-0294 Screening compound: 3-(3-fluorophenoxy)-1-(3-methylthiophene-2-carbonyl)pyrrolidine

S512-0294 Screening compound: 3-(3-fluorophenoxy)-1-(3-methylthiophene-2-carbonyl)pyrrolidine
S512-0294 Screening compound: 3-(3-fluorophenoxy)-1-(3-methylthiophene-2-carbonyl)pyrrolidine alternative view

Chemical Structure Depiction of ChemDiv screening compound S512-0294
3-(3-fluorophenoxy)-1-(3-methylthiophene-2-carbonyl)pyrrolidine

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

S512-0294

Molecular Formula

C16H16FNO2S (C16 H16 FNO2 S)

Compound Name

3-(3-fluorophenoxy)-1-(3-methylthiophene-2-carbonyl)pyrrolidine

IUPAC name

3-(3-fluorophenoxy)-1-(3-methylthiophene-2-carbonyl)pyrrolidine

SMILES

Cc1c(C(N(CC2)CC2Oc2cc(F)ccc2)=O)scc1

InChI

InChI=1S/C16H16FNO2S/c1-11-6-8-21-15(11)16(19)18-7-5-14(10-18)20-13-4-2-3-12(17)9-13/h2-4,6,8-9,14H,5,7,10H2,1H3/t14-/m1/s1

InChI Key

LKHWHIFTBPSUBD-CQSZACIVSA-N

MDL Number (MFCD)

MFCD32224688

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

305.37

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.468

Distribution Coefficient, logD

3.468

Water Solubility, LogSw

-3.67

Polar Surface Area

24.466

Acid Dissociation Constant (pKa)

27.70

Base Dissociation Constant (pKb)

-2.83

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.25

S512-0294 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S512-0294 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S512-0294?
Check Price and Availability of S512-0294, 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 S512-0294 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S512-0294
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S512-0294
  • 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 S512-0294 available by request