L076-0017 Screening compound: 5-{1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl}-N-(4-methoxyphenyl)-1,3,4-thiadiazole-2-carboxamide

L076-0017 Screening compound: 5-{1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl}-N-(4-methoxyphenyl)-1,3,4-thiadiazole-2-carboxamide
L076-0017 Screening compound: 5-{1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl}-N-(4-methoxyphenyl)-1,3,4-thiadiazole-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L076-0017
5-{1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl}-N-(4-methoxyphenyl)-1,3,4-thiadiazole-2-carboxamide

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

L076-0017

Molecular Formula

C23H23FN4O3S (C23 H23 FN4 O3 S)

Compound Name

5-{1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl}-N-(4-methoxyphenyl)-1,3,4-thiadiazole-2-carboxamide

IUPAC name

5-{1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl}-N-(4-methoxyphenyl)-134-thiadiazole-2-carboxamide

SMILES

COc(cc1)ccc1NC(c1nnc(C(CC2)CCN2C(Cc(cc2)ccc2F)=O)s1)=O

InChI

InChI=1S/C23H23FN4O3S/c1-31-19-8-6-18(7-9-19)25-21(30)23-27-26-22(32-23)16-10-12-28(13-11-16)20(29)14-15-2-4-17(24)5-3-15/h2-9,16H,10-14H2,1H3,(H,25,30)

InChI Key

JCOJIGSKYFRJIW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27229036

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

454.53

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.405

Distribution Coefficient, logD

3.405

Water Solubility, LogSw

-3.59

Polar Surface Area

70.227

Acid Dissociation Constant (pKa)

11.08

Base Dissociation Constant (pKb)

-0.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.40

L076-0017 in Drug Discovery

Included in Screening Libraries

GPCR Targeted Library (31838 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • GPCR
  • Kinases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with L076-0017 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L076-0017?
Check Price and Availability of L076-0017, 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 L076-0017 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L076-0017
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L076-0017
  • 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 L076-0017 available by request