0831-0561 Screening compound: 2-{[3-(piperidin-1-yl)propyl]sulfanyl}-1,3-benzothiazole

0831-0561 Screening compound: 2-{[3-(piperidin-1-yl)propyl]sulfanyl}-1,3-benzothiazole
0831-0561 Screening compound: 2-{[3-(piperidin-1-yl)propyl]sulfanyl}-1,3-benzothiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 0831-0561
2-{[3-(piperidin-1-yl)propyl]sulfanyl}-1,3-benzothiazole

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

0831-0561

Molecular Formula

C15H20N2S2 (C15 H20 N2 S2)

Compound Name

2-{[3-(piperidin-1-yl)propyl]sulfanyl}-1,3-benzothiazole

IUPAC name

2-{[3-(piperidin-1-yl)propyl]sulfanyl}-13-benzothiazole

SMILES

C(CN1CCCCC1)CSc1nc(cccc2)c2s1

InChI

InChI=1S/C15H20N2S2/c1-4-9-17(10-5-1)11-6-12-18-15-16-13-7-2-3-8-14(13)19-15/h2-3,7-8H,1,4-6,9-12H2

InChI Key

JQYPUPKSYMITQB-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

292.47

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

4.336

Distribution Coefficient, logD

1.783

Water Solubility, LogSw

-4.27

Polar Surface Area

13.031

Acid Dissociation Constant (pKa)

27.12

Base Dissociation Constant (pKb)

9.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

53.30

References: we are preparing a list of scientific research reports with 0831-0561 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0831-0561?
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What is the minimum amount of 0831-0561 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0831-0561
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0831-0561
  • 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 0831-0561 available by request