S421-1277 Screening compound: N~1~-(3-fluorophenyl)-2-[1-(methylsulfonyl)tetrahydro-1H-pyrrol-3-yl]acetamide

S421-1277 Screening compound: N~1~-(3-fluorophenyl)-2-[1-(methylsulfonyl)tetrahydro-1H-pyrrol-3-yl]acetamide
S421-1277 Screening compound: N~1~-(3-fluorophenyl)-2-[1-(methylsulfonyl)tetrahydro-1H-pyrrol-3-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S421-1277
N~1~-(3-fluorophenyl)-2-[1-(methylsulfonyl)tetrahydro-1H-pyrrol-3-yl]acetamide

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

S421-1277

Molecular Formula

C13H17FN2O3S (C13 H17 FN2 O3 S)

Compound Name

N~1~-(3-fluorophenyl)-2-[1-(methylsulfonyl)tetrahydro-1H-pyrrol-3-yl]acetamide

IUPAC name

N-(3-fluorophenyl)-2-(1-methanesulfonylpyrrolidin-3-yl)acetamide

SMILES

CS(N1CC(CC(Nc2cc(F)ccc2)=O)CC1)(=O)=O

InChI

InChI=1S/C13H17FN2O3S/c1-20(18,19)16-6-5-10(9-16)7-13(17)15-12-4-2-3-11(14)8-12/h2-4,8,10H,5-7,9H2,1H3,(H,15,17)/t10-/m0/s1

InChI Key

IZBYFCWMXPOCAH-JTQLQIEISA-N

MDL Number (MFCD)

MFCD30462463

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

300.35

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.587

Distribution Coefficient, logD

1.587

Water Solubility, LogSw

-2.55

Polar Surface Area

54.891

Acid Dissociation Constant (pKa)

10.45

Base Dissociation Constant (pKb)

-0.08

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

46.15

S421-1277 in Drug Discovery

Included in Screening Libraries

3D-Fragment Library (4274 compounds)

Protein-Protein Interaction Library (218420 compounds)

Aurora A-B Kinases Targeted Library (9426 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Fragments
  • Cyclic compounds
Mechanism of action:
  • PPI modulators
Therapeutical areas:
  • Cancer
  • Digestive system
  • Male
  • Female
  • Hemic and lymphatic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with S421-1277 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S421-1277?
Check Price and Availability of S421-1277, 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 S421-1277 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S421-1277
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S421-1277
  • 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 S421-1277 available by request