L078-0591 Screening compound: N-(2,4-difluorophenyl)-5-(1-methanesulfonylpiperidin-4-yl)-1,3,4-thiadiazole-2-carboxamide

L078-0591 Screening compound: N-(2,4-difluorophenyl)-5-(1-methanesulfonylpiperidin-4-yl)-1,3,4-thiadiazole-2-carboxamide
L078-0591 Screening compound: N-(2,4-difluorophenyl)-5-(1-methanesulfonylpiperidin-4-yl)-1,3,4-thiadiazole-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L078-0591
N-(2,4-difluorophenyl)-5-(1-methanesulfonylpiperidin-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

L078-0591

Molecular Formula

C15H16F2N4O3S2 (C15 H16 F2 N4 O3 S2)

Compound Name

N-(2,4-difluorophenyl)-5-(1-methanesulfonylpiperidin-4-yl)-1,3,4-thiadiazole-2-carboxamide

IUPAC name

N-(24-difluorophenyl)-5-(1-methanesulfonylpiperidin-4-yl)-134-thiadiazole-2-carboxamide

SMILES

CS(N(CC1)CCC1c1nnc(C(Nc(ccc(F)c2)c2F)=O)s1)(=O)=O

InChI

InChI=1S/C15H16F2N4O3S2/c1-26(23,24)21-6-4-9(5-7-21)14-19-20-15(25-14)13(22)18-12-3-2-10(16)8-11(12)17/h2-3,8-9H,4-7H2,1H3,(H,18,22)

InChI Key

XHJVTXRMWWZZPB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15118197

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

402.45

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.872

Distribution Coefficient, logD

1.702

Water Solubility, LogSw

-2.71

Polar Surface Area

77.339

Acid Dissociation Constant (pKa)

7.72

Base Dissociation Constant (pKb)

-3.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

L078-0591 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Antiviral Library (67538 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with L078-0591 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L078-0591?
Check Price and Availability of L078-0591, 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 L078-0591 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L078-0591
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L078-0591
  • 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 L078-0591 available by request