L306-0462 Screening compound: 1-[(3-methyl-2-oxo-2,3-dihydro-1,3-benzothiazol-6-yl)sulfonyl]-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide

L306-0462 Screening compound: 1-[(3-methyl-2-oxo-2,3-dihydro-1,3-benzothiazol-6-yl)sulfonyl]-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide
L306-0462 Screening compound: 1-[(3-methyl-2-oxo-2,3-dihydro-1,3-benzothiazol-6-yl)sulfonyl]-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L306-0462
1-[(3-methyl-2-oxo-2,3-dihydro-1,3-benzothiazol-6-yl)sulfonyl]-N-[(4-methylphenyl)methyl]piperidine-4-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

L306-0462

Molecular Formula

C22H25N3O4S2 (C22 H25 N3 O4 S2)

Compound Name

1-[(3-methyl-2-oxo-2,3-dihydro-1,3-benzothiazol-6-yl)sulfonyl]-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide

IUPAC name

1-[(3-methyl-2-oxo-23-dihydro-13-benzothiazol-6-yl)sulfonyl]-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide

SMILES

Cc1ccc(CNC(C(CC2)CCN2S(c(cc2)cc(S3)c2N(C)C3=O)(=O)=O)=O)cc1

InChI

InChI=1S/C22H25N3O4S2/c1-15-3-5-16(6-4-15)14-23-21(26)17-9-11-25(12-10-17)31(28,29)18-7-8-19-20(13-18)30-22(27)24(19)2/h3-8,13,17H,9-12,14H2,1-2H3,(H,23,26)

InChI Key

IDRYVJDTKHZFIX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27243366

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

459.59

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.246

Distribution Coefficient, logD

3.246

Water Solubility, LogSw

-3.55

Polar Surface Area

71.973

Acid Dissociation Constant (pKa)

12.56

Base Dissociation Constant (pKb)

-0.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.40

L306-0462 in Drug Discovery

Included in Screening Libraries

CORONAVIRUS Library (20774 compounds)

Macl-GPIb alpha Interaction Library (22969 compounds)

Nonpeptide Peptidomimetics PPI Library (18997 compounds)

PLpro Library (6343 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Hemic and lymphatic
  • Cardiovascular
  • Antiviral
  • Infections
  • Immune system
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with L306-0462 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L306-0462?
Check Price and Availability of L306-0462, 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 L306-0462 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L306-0462
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L306-0462
  • 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 L306-0462 available by request