L078-0599 Screening compound: N-(2,4-difluorophenyl)-5-{1-[(1-methyl-1H-imidazol-4-yl)sulfonyl]piperidin-4-yl}-1,3,4-thiadiazole-2-carboxamide

L078-0599 Screening compound: N-(2,4-difluorophenyl)-5-{1-[(1-methyl-1H-imidazol-4-yl)sulfonyl]piperidin-4-yl}-1,3,4-thiadiazole-2-carboxamide
L078-0599 Screening compound: N-(2,4-difluorophenyl)-5-{1-[(1-methyl-1H-imidazol-4-yl)sulfonyl]piperidin-4-yl}-1,3,4-thiadiazole-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L078-0599
N-(2,4-difluorophenyl)-5-{1-[(1-methyl-1H-imidazol-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

L078-0599

Molecular Formula

C18H18F2N6O3S2 (C18 H18 F2 N6 O3 S2)

Compound Name

N-(2,4-difluorophenyl)-5-{1-[(1-methyl-1H-imidazol-4-yl)sulfonyl]piperidin-4-yl}-1,3,4-thiadiazole-2-carboxamide

IUPAC name

N-(24-difluorophenyl)-5-{1-[(1-methyl-1H-imidazol-4-yl)sulfonyl]piperidin-4-yl}-134-thiadiazole-2-carboxamide

SMILES

Cn1cnc(S(N(CC2)CCC2c2nnc(C(Nc(ccc(F)c3)c3F)=O)s2)(=O)=O)c1

InChI

InChI=1S/C18H18F2N6O3S2/c1-25-9-15(21-10-25)31(28,29)26-6-4-11(5-7-26)17-23-24-18(30-17)16(27)22-14-3-2-12(19)8-13(14)20/h2-3,8-11H,4-7H2,1H3,(H,22,27)

InChI Key

VJMPPGCUAXCIHB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27229499

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

468.51

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.673

Distribution Coefficient, logD

1.503

Water Solubility, LogSw

-2.58

Polar Surface Area

89.987

Acid Dissociation Constant (pKa)

7.72

Base Dissociation Constant (pKb)

0.21

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

L078-0599 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Antiviral Library (67538 compounds)

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

Protein Kinases Inhibitors Library (36801 compounds)

Targeted Diversity Library (40567 compounds)

New Agro Library (44492 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
Agro:
  • Agro

References: we are preparing a list of scientific research reports with L078-0599 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L078-0599?
Check Price and Availability of L078-0599, 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 L078-0599 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L078-0599
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L078-0599
  • 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 L078-0599 available by request