L078-0020 Screening compound: N-(4-methoxyphenyl)-5-{1-[(1,3,5-trimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl}-1,3,4-thiadiazole-2-carboxamide

L078-0020 Screening compound: N-(4-methoxyphenyl)-5-{1-[(1,3,5-trimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl}-1,3,4-thiadiazole-2-carboxamide
L078-0020 Screening compound: N-(4-methoxyphenyl)-5-{1-[(1,3,5-trimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl}-1,3,4-thiadiazole-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L078-0020
N-(4-methoxyphenyl)-5-{1-[(1,3,5-trimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl}-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

L078-0020

Molecular Formula

C21H26N6O4S2 (C21 H26 N6 O4 S2)

Compound Name

N-(4-methoxyphenyl)-5-{1-[(1,3,5-trimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl}-1,3,4-thiadiazole-2-carboxamide

IUPAC name

N-(4-methoxyphenyl)-5-{1-[(135-trimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl}-134-thiadiazole-2-carboxamide

SMILES

Cc(n(C)nc1C)c1S(N(CC1)CCC1c1nnc(C(Nc(cc2)ccc2OC)=O)s1)(=O)=O

InChI

InChI=1S/C21H26N6O4S2/c1-13-18(14(2)26(3)25-13)33(29,30)27-11-9-15(10-12-27)20-23-24-21(32-20)19(28)22-16-5-7-17(31-4)8-6-16/h5-8,15H,9-12H2,1-4H3,(H,22,28)

InChI Key

XQBNXUJMDKHMBQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27229363

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

490.61

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.535

Distribution Coefficient, logD

1.535

Water Solubility, LogSw

-2.49

Polar Surface Area

100.656

Acid Dissociation Constant (pKa)

11.08

Base Dissociation Constant (pKb)

-0.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.90

L078-0020 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Antiviral Library (67538 compounds)

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

Protein Kinases Inhibitors Library (36801 compounds)

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with L078-0020 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L078-0020?
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What is the minimum amount of L078-0020 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L078-0020
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L078-0020
  • 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 L078-0020 available by request