L306-0469 Screening compound: 3-methyl-6-{[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]sulfonyl}-2,3-dihydro-1,3-benzothiazol-2-one

L306-0469 Screening compound: 3-methyl-6-{[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]sulfonyl}-2,3-dihydro-1,3-benzothiazol-2-one
L306-0469 Screening compound: 3-methyl-6-{[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]sulfonyl}-2,3-dihydro-1,3-benzothiazol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound L306-0469
3-methyl-6-{[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]sulfonyl}-2,3-dihydro-1,3-benzothiazol-2-one

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

L306-0469

Molecular Formula

C18H23N3O4S2 (C18 H23 N3 O4 S2)

Compound Name

3-methyl-6-{[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]sulfonyl}-2,3-dihydro-1,3-benzothiazol-2-one

IUPAC name

3-methyl-6-{[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]sulfonyl}-23-dihydro-13-benzothiazol-2-one

SMILES

CN(c(ccc(S(N(CC1)CCC1C(N1CCCC1)=O)(=O)=O)c1)c1S1)C1=O

InChI

InChI=1S/C18H23N3O4S2/c1-19-15-5-4-14(12-16(15)26-18(19)23)27(24,25)21-10-6-13(7-11-21)17(22)20-8-2-3-9-20/h4-5,12-13H,2-3,6-11H2,1H3

InChI Key

XCCYDEYWRHUGBC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27243371

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

409.53

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.520

Distribution Coefficient, logD

2.520

Water Solubility, LogSw

-2.84

Polar Surface Area

64.574

Acid Dissociation Constant (pKa)

23.63

Base Dissociation Constant (pKb)

-1.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

55.60

L306-0469 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)

Included in 1.7M Stock Database

Therapeutical areas:
  • Hemic and lymphatic
  • Cardiovascular
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with L306-0469 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L306-0469?
Check Price and Availability of L306-0469, 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 L306-0469 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L306-0469
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L306-0469
  • 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 L306-0469 available by request