L066-0078 Screening compound: N-(4-methoxyphenyl)-5-[1-(3-methylbenzenesulfonyl)piperidin-3-yl]-1,3,4-thiadiazole-2-carboxamide

L066-0078 Screening compound: N-(4-methoxyphenyl)-5-[1-(3-methylbenzenesulfonyl)piperidin-3-yl]-1,3,4-thiadiazole-2-carboxamide
L066-0078 Screening compound: N-(4-methoxyphenyl)-5-[1-(3-methylbenzenesulfonyl)piperidin-3-yl]-1,3,4-thiadiazole-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L066-0078
N-(4-methoxyphenyl)-5-[1-(3-methylbenzenesulfonyl)piperidin-3-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

L066-0078

Molecular Formula

C22H24N4O4S2 (C22 H24 N4 O4 S2)

Compound Name

N-(4-methoxyphenyl)-5-[1-(3-methylbenzenesulfonyl)piperidin-3-yl]-1,3,4-thiadiazole-2-carboxamide

IUPAC name

N-(4-methoxyphenyl)-5-[1-(3-methylbenzenesulfonyl)piperidin-3-yl]-134-thiadiazole-2-carboxamide

SMILES

Cc1cccc(S(N(CCC2)CC2c2nnc(C(Nc(cc3)ccc3OC)=O)s2)(=O)=O)c1

InChI

InChI=1S/C22H24N4O4S2/c1-15-5-3-7-19(13-15)32(28,29)26-12-4-6-16(14-26)21-24-25-22(31-21)20(27)23-17-8-10-18(30-2)11-9-17/h3,5,7-11,13,16H,4,6,12,14H2,1-2H3,(H,23,27)/t16-/m0/s1

InChI Key

KFKAETPYRJFFNR-INIZCTEOSA-N

MDL Number (MFCD)

MFCD27228616

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

472.59

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.712

Distribution Coefficient, logD

3.712

Water Solubility, LogSw

-3.96

Polar Surface Area

85.750

Acid Dissociation Constant (pKa)

11.08

Base Dissociation Constant (pKb)

-0.34

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.80

L066-0078 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with L066-0078 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L066-0078?
Check Price and Availability of L066-0078, 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 L066-0078 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L066-0078
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L066-0078
  • 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 L066-0078 available by request