M114-1438 Screening compound: ethyl 2-[(8-{[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl}-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]acetate

M114-1438 Screening compound: ethyl 2-[(8-{[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl}-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]acetate
M114-1438 Screening compound: ethyl 2-[(8-{[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl}-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound M114-1438
ethyl 2-[(8-{[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl}-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]acetate

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

M114-1438

Molecular Formula

C20H22FN5O4S2 (C20 H22 FN5 O4 S2)

Compound Name

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

IUPAC name

ethyl 2-[(8-{[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl}-[124]triazolo[43-a]pyridin-3-yl)sulfanyl]acetate

SMILES

CCOC(CSc1nnc2n1cccc2S(N(CC1)CCN1c(cc1)ccc1F)(=O)=O)=O

InChI

InChI=1S/C20H22FN5O4S2/c1-2-30-18(27)14-31-20-23-22-19-17(4-3-9-26(19)20)32(28,29)25-12-10-24(11-13-25)16-7-5-15(21)6-8-16/h3-9H,2,10-14H2,1H3

InChI Key

BWNGSLBKMANGKX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27497579

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

479.56

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.136

Distribution Coefficient, logD

2.136

Water Solubility, LogSw

-2.38

Polar Surface Area

78.107

Acid Dissociation Constant (pKa)

19.13

Base Dissociation Constant (pKb)

2.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.00

M114-1438 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with M114-1438 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M114-1438?
Check Price and Availability of M114-1438, 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 M114-1438 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M114-1438
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M114-1438
  • 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 M114-1438 available by request