3086-0016 Screening compound: N-(5-{[(4-fluorophenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)acetamide

3086-0016 Screening compound: N-(5-{[(4-fluorophenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)acetamide
3086-0016 Screening compound: N-(5-{[(4-fluorophenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3086-0016
N-(5-{[(4-fluorophenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-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

3086-0016

Molecular Formula

C11H10FN3OS2 (C11 H10 FN3 OS2)

Compound Name

N-(5-{[(4-fluorophenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)acetamide

IUPAC name

N-(5-{[(4-fluorophenyl)methyl]sulfanyl}-134-thiadiazol-2-yl)acetamide

SMILES

CC(Nc1nnc(SCc(cc2)ccc2F)s1)=O

InChI

InChI=1S/C11H10FN3OS2/c1-7(16)13-10-14-15-11(18-10)17-6-8-2-4-9(12)5-3-8/h2-5H,6H2,1H3,(H,13,14,16)

InChI Key

FTOPGVGTEHVJEP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02032562

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

283.35

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.728

Distribution Coefficient, logD

2.727

Water Solubility, LogSw

-3.05

Polar Surface Area

46.135

Acid Dissociation Constant (pKa)

10.12

Base Dissociation Constant (pKb)

-3.90

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

3086-0016 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 3086-0016 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3086-0016?
Check Price and Availability of 3086-0016, 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 3086-0016 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3086-0016
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3086-0016
  • 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 3086-0016 available by request