L306-0612 Screening compound: methyl 4-{1-[(3-methyl-2-oxo-2,3-dihydro-1,3-benzothiazol-6-yl)sulfonyl]piperidine-4-amido}benzoate

L306-0612 Screening compound: methyl 4-{1-[(3-methyl-2-oxo-2,3-dihydro-1,3-benzothiazol-6-yl)sulfonyl]piperidine-4-amido}benzoate
L306-0612 Screening compound: methyl 4-{1-[(3-methyl-2-oxo-2,3-dihydro-1,3-benzothiazol-6-yl)sulfonyl]piperidine-4-amido}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound L306-0612
methyl 4-{1-[(3-methyl-2-oxo-2,3-dihydro-1,3-benzothiazol-6-yl)sulfonyl]piperidine-4-amido}benzoate

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

L306-0612

Molecular Formula

C22H23N3O6S2 (C22 H23 N3 O6 S2)

Compound Name

methyl 4-{1-[(3-methyl-2-oxo-2,3-dihydro-1,3-benzothiazol-6-yl)sulfonyl]piperidine-4-amido}benzoate

IUPAC name

methyl 4-{1-[(3-methyl-2-oxo-23-dihydro-13-benzothiazol-6-yl)sulfonyl]piperidine-4-amido}benzoate

SMILES

CN(c(ccc(S(N(CC1)CCC1C(Nc(cc1)ccc1C(OC)=O)=O)(=O)=O)c1)c1S1)C1=O

InChI

InChI=1S/C22H23N3O6S2/c1-24-18-8-7-17(13-19(18)32-22(24)28)33(29,30)25-11-9-14(10-12-25)20(26)23-16-5-3-15(4-6-16)21(27)31-2/h3-8,13-14H,9-12H2,1-2H3,(H,23,26)

InChI Key

XFOMHHWOWBZRIL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27243415

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

489.57

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.224

Distribution Coefficient, logD

3.224

Water Solubility, LogSw

-3.73

Polar Surface Area

91.825

Acid Dissociation Constant (pKa)

10.39

Base Dissociation Constant (pKb)

-1.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.80

L306-0612 in Drug Discovery

Included in Screening Libraries

Macl-GPIb alpha Interaction Library (22969 compounds)

Nonpeptide Peptidomimetics PPI Library (18997 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • 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 L306-0612 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L306-0612?
Check Price and Availability of L306-0612, 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 L306-0612 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L306-0612
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L306-0612
  • 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 L306-0612 available by request