D216-0001 Screening compound: 1-(4-fluorobenzenesulfonyl)-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]piperidine

D216-0001 Screening compound: 1-(4-fluorobenzenesulfonyl)-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]piperidine
D216-0001 Screening compound: 1-(4-fluorobenzenesulfonyl)-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]piperidine alternative view

Chemical Structure Depiction of ChemDiv screening compound D216-0001
1-(4-fluorobenzenesulfonyl)-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]piperidine

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

D216-0001

Molecular Formula

C14H16FN3O2S3 (C14 H16 FN3 O2 S3)

Compound Name

1-(4-fluorobenzenesulfonyl)-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]piperidine

IUPAC name

1-(4-fluorobenzenesulfonyl)-4-[(5-methyl-134-thiadiazol-2-yl)sulfanyl]piperidine

SMILES

Cc1nnc(SC(CC2)CCN2S(c(cc2)ccc2F)(=O)=O)s1

InChI

InChI=1S/C14H16FN3O2S3/c1-10-16-17-14(21-10)22-12-6-8-18(9-7-12)23(19,20)13-4-2-11(15)3-5-13/h2-5,12H,6-9H2,1H3

InChI Key

HDYMELUEXNLYNQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14814197

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

373.5

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.010

Distribution Coefficient, logD

3.010

Water Solubility, LogSw

-3.22

Polar Surface Area

54.349

Acid Dissociation Constant (pKa)

24.28

Base Dissociation Constant (pKb)

-1.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.90

D216-0001 in Drug Discovery

Included in Screening Libraries

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

GPCR Targeted Library (31838 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands
Agro:
  • Agro

References: we are preparing a list of scientific research reports with D216-0001 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D216-0001?
Check Price and Availability of D216-0001, 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 D216-0001 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D216-0001
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D216-0001
  • 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 D216-0001 available by request