L306-0545 Screening compound: ethyl 1-{1-[(3-methyl-2-oxo-2,3-dihydro-1,3-benzothiazol-6-yl)sulfonyl]piperidine-4-carbonyl}piperidine-3-carboxylate

L306-0545 Screening compound: ethyl 1-{1-[(3-methyl-2-oxo-2,3-dihydro-1,3-benzothiazol-6-yl)sulfonyl]piperidine-4-carbonyl}piperidine-3-carboxylate
L306-0545 Screening compound: ethyl 1-{1-[(3-methyl-2-oxo-2,3-dihydro-1,3-benzothiazol-6-yl)sulfonyl]piperidine-4-carbonyl}piperidine-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound L306-0545
ethyl 1-{1-[(3-methyl-2-oxo-2,3-dihydro-1,3-benzothiazol-6-yl)sulfonyl]piperidine-4-carbonyl}piperidine-3-carboxylate

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

L306-0545

Molecular Formula

C22H29N3O6S2 (C22 H29 N3 O6 S2)

Compound Name

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

IUPAC name

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

SMILES

CCOC(C(CCC1)CN1C(C(CC1)CCN1S(c(cc1)cc(S2)c1N(C)C2=O)(=O)=O)=O)=O

InChI

InChI=1S/C22H29N3O6S2/c1-3-31-21(27)16-5-4-10-24(14-16)20(26)15-8-11-25(12-9-15)33(29,30)17-6-7-18-19(13-17)32-22(28)23(18)2/h6-7,13,15-16H,3-5,8-12,14H2,1-2H3/t16-/m0/s1

InChI Key

AKOFRDGPFDPTMQ-INIZCTEOSA-N

MDL Number (MFCD)

MFCD27243398

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

495.62

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.665

Distribution Coefficient, logD

2.665

Water Solubility, LogSw

-3.09

Polar Surface Area

84.895

Acid Dissociation Constant (pKa)

22.59

Base Dissociation Constant (pKb)

-0.63

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

59.10

L306-0545 in Drug Discovery

Included in Screening Libraries

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

Macl-GPIb alpha Interaction Library (22969 compounds)

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Hemic and lymphatic
  • Cardiovascular

References: we are preparing a list of scientific research reports with L306-0545 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L306-0545?
Check Price and Availability of L306-0545, 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 L306-0545 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L306-0545
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L306-0545
  • 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 L306-0545 available by request