L066-0439 Screening compound: 5-[1-(2,1,3-benzothiadiazole-4-sulfonyl)piperidin-3-yl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide

L066-0439 Screening compound: 5-[1-(2,1,3-benzothiadiazole-4-sulfonyl)piperidin-3-yl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide
L066-0439 Screening compound: 5-[1-(2,1,3-benzothiadiazole-4-sulfonyl)piperidin-3-yl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L066-0439
5-[1-(2,1,3-benzothiadiazole-4-sulfonyl)piperidin-3-yl]-N-phenyl-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

L066-0439

Molecular Formula

C20H18N6O3S3 (C20 H18 N6 O3 S3)

Compound Name

5-[1-(2,1,3-benzothiadiazole-4-sulfonyl)piperidin-3-yl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide

IUPAC name

5-[1-(213-benzothiadiazole-4-sulfonyl)piperidin-3-yl]-N-phenyl-134-thiadiazole-2-carboxamide

SMILES

O=C(c1nnc(C(CCC2)CN2S(c2cccc3nsnc23)(=O)=O)s1)Nc1ccccc1

InChI

InChI=1S/C20H18N6O3S3/c27-18(21-14-7-2-1-3-8-14)20-23-22-19(30-20)13-6-5-11-26(12-13)32(28,29)16-10-4-9-15-17(16)25-31-24-15/h1-4,7-10,13H,5-6,11-12H2,(H,21,27)/t13-/m0/s1

InChI Key

JWPHMJCLQWTSBN-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD15117403

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

486.6

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.033

Distribution Coefficient, logD

3.033

Water Solubility, LogSw

-3.48

Polar Surface Area

99.159

Acid Dissociation Constant (pKa)

11.40

Base Dissociation Constant (pKb)

-1.00

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

L066-0439 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 L066-0439 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L066-0439?
Check Price and Availability of L066-0439, 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 L066-0439 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L066-0439
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L066-0439
  • 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 L066-0439 available by request