D652-0002 Screening compound: 2-[1-(4-methylbenzoyl)piperidin-4-yl]-1,3-benzothiazole

D652-0002 Screening compound: 2-[1-(4-methylbenzoyl)piperidin-4-yl]-1,3-benzothiazole
D652-0002 Screening compound: 2-[1-(4-methylbenzoyl)piperidin-4-yl]-1,3-benzothiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound D652-0002
2-[1-(4-methylbenzoyl)piperidin-4-yl]-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

D652-0002

Molecular Formula

C20H20N2OS (C20 H20 N2 OS)

Compound Name

2-[1-(4-methylbenzoyl)piperidin-4-yl]-1,3-benzothiazole

IUPAC name

2-[1-(4-methylbenzoyl)piperidin-4-yl]-13-benzothiazole

SMILES

Cc(cc1)ccc1C(N(CC1)CCC1c1nc(cccc2)c2s1)=O

InChI

InChI=1S/C20H20N2OS/c1-14-6-8-16(9-7-14)20(23)22-12-10-15(11-13-22)19-21-17-4-2-3-5-18(17)24-19/h2-9,15H,10-13H2,1H3

InChI Key

ICCCFRVOFPOVHQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04204322

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

336.46

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.332

Distribution Coefficient, logD

4.332

Water Solubility, LogSw

-4.20

Polar Surface Area

26.336

Acid Dissociation Constant (pKa)

26.01

Base Dissociation Constant (pKb)

0.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

References: we are preparing a list of scientific research reports with D652-0002 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D652-0002?
Check Price and Availability of D652-0002, 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 D652-0002 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D652-0002
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D652-0002
  • 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 D652-0002 available by request