C306-0545 Screening compound: N-[3-(4-benzylpiperidin-1-yl)propyl]-2-[(2Z)-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene]acetamide

C306-0545 Screening compound: N-[3-(4-benzylpiperidin-1-yl)propyl]-2-[(2Z)-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene]acetamide
C306-0545 Screening compound: N-[3-(4-benzylpiperidin-1-yl)propyl]-2-[(2Z)-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C306-0545
N-[3-(4-benzylpiperidin-1-yl)propyl]-2-[(2Z)-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene]acetamide

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

C306-0545

Molecular Formula

C25H29N3O2S (C25 H29 N3 O2 S)

Compound Name

N-[3-(4-benzylpiperidin-1-yl)propyl]-2-[(2Z)-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene]acetamide

IUPAC name

N-[3-(4-benzylpiperidin-1-yl)propyl]-2-[(2Z)-3-oxo-34-dihydro-2H-14-benzothiazin-2-ylidene]acetamide

SMILES

O=C(/C=C1\Sc(cccc2)c2NC1=O)NCCCN1CCC(Cc2ccccc2)CC1

InChI

InChI=1S/C25H29N3O2S/c29-24(18-23-25(30)27-21-9-4-5-10-22(21)31-23)26-13-6-14-28-15-11-20(12-16-28)17-19-7-2-1-3-8-19/h1-5,7-10,18,20H,6,11-17H2,(H,26,29)(H,27,30)

InChI Key

QFDQWZCCXQRRCY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14746846

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

435.59

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.935

Distribution Coefficient, logD

1.901

Water Solubility, LogSw

-4.10

Polar Surface Area

52.868

Acid Dissociation Constant (pKa)

12.04

Base Dissociation Constant (pKb)

9.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.00

References: we are preparing a list of scientific research reports with C306-0545 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C306-0545?
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What is the minimum amount of C306-0545 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C306-0545
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C306-0545
  • 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 C306-0545 available by request