L077-0541 Screening compound: N-(3-chloro-4-fluorophenyl)-4-[5-(phenylcarbamoyl)-1,3,4-thiadiazol-2-yl]piperidine-1-carboxamide

L077-0541 Screening compound: N-(3-chloro-4-fluorophenyl)-4-[5-(phenylcarbamoyl)-1,3,4-thiadiazol-2-yl]piperidine-1-carboxamide
L077-0541 Screening compound: N-(3-chloro-4-fluorophenyl)-4-[5-(phenylcarbamoyl)-1,3,4-thiadiazol-2-yl]piperidine-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L077-0541
N-(3-chloro-4-fluorophenyl)-4-[5-(phenylcarbamoyl)-1,3,4-thiadiazol-2-yl]piperidine-1-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

L077-0541

Molecular Formula

C21H19ClFN5O2S (C21 H19 ClFN5 O2 S)

Compound Name

N-(3-chloro-4-fluorophenyl)-4-[5-(phenylcarbamoyl)-1,3,4-thiadiazol-2-yl]piperidine-1-carboxamide

IUPAC name

N-(3-chloro-4-fluorophenyl)-4-[5-(phenylcarbamoyl)-134-thiadiazol-2-yl]piperidine-1-carboxamide

SMILES

O=C(c1nnc(C(CC2)CCN2C(Nc(cc2)cc(Cl)c2F)=O)s1)Nc1ccccc1

InChI

InChI=1S/C21H19ClFN5O2S/c22-16-12-15(6-7-17(16)23)25-21(30)28-10-8-13(9-11-28)19-26-27-20(31-19)18(29)24-14-4-2-1-3-5-14/h1-7,12-13H,8-11H2,(H,24,29)(H,25,30)

InChI Key

HLBMEXPUIDRTRH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27229267

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

459.93

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.013

Distribution Coefficient, logD

4.012

Water Solubility, LogSw

-4.49

Polar Surface Area

72.031

Acid Dissociation Constant (pKa)

10.35

Base Dissociation Constant (pKb)

-2.08

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

L077-0541 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with L077-0541 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L077-0541?
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What is the minimum amount of L077-0541 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L077-0541
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L077-0541
  • 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 L077-0541 available by request