M114-0114 Screening compound: 1-[(3-{[(3-fluorophenyl)methyl]sulfanyl}-[1,2,4]triazolo[4,3-a]pyridin-8-yl)sulfonyl]pyrrolidine

M114-0114 Screening compound: 1-[(3-{[(3-fluorophenyl)methyl]sulfanyl}-[1,2,4]triazolo[4,3-a]pyridin-8-yl)sulfonyl]pyrrolidine
M114-0114 Screening compound: 1-[(3-{[(3-fluorophenyl)methyl]sulfanyl}-[1,2,4]triazolo[4,3-a]pyridin-8-yl)sulfonyl]pyrrolidine alternative view

Chemical Structure Depiction of ChemDiv screening compound M114-0114
1-[(3-{[(3-fluorophenyl)methyl]sulfanyl}-[1,2,4]triazolo[4,3-a]pyridin-8-yl)sulfonyl]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

M114-0114

Molecular Formula

C17H17FN4O2S2 (C17 H17 FN4 O2 S2)

Compound Name

1-[(3-{[(3-fluorophenyl)methyl]sulfanyl}-[1,2,4]triazolo[4,3-a]pyridin-8-yl)sulfonyl]pyrrolidine

IUPAC name

1-[(3-{[(3-fluorophenyl)methyl]sulfanyl}-[124]triazolo[43-a]pyridin-8-yl)sulfonyl]pyrrolidine

SMILES

O=S(c1cccn2c(SCc3cc(F)ccc3)nnc12)(N1CCCC1)=O

InChI

InChI=1S/C17H17FN4O2S2/c18-14-6-3-5-13(11-14)12-25-17-20-19-16-15(7-4-10-22(16)17)26(23,24)21-8-1-2-9-21/h3-7,10-11H,1-2,8-9,12H2

InChI Key

IAJFGLHBGODPEC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27497545

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

392.48

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.446

Distribution Coefficient, logD

2.446

Water Solubility, LogSw

-2.57

Polar Surface Area

54.782

Acid Dissociation Constant (pKa)

23.30

Base Dissociation Constant (pKb)

1.61

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.40

M114-0114 in Drug Discovery

Included in Screening Libraries

SmartTM Library (51161 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with M114-0114 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M114-0114?
Check Price and Availability of M114-0114, 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 M114-0114 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M114-0114
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M114-0114
  • 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 M114-0114 available by request