D345-0395 Screening compound: 2-[1-(2-propoxybenzoyl)piperidin-4-yl]-1,3-benzothiazole

D345-0395 Screening compound: 2-[1-(2-propoxybenzoyl)piperidin-4-yl]-1,3-benzothiazole
D345-0395 Screening compound: 2-[1-(2-propoxybenzoyl)piperidin-4-yl]-1,3-benzothiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound D345-0395
2-[1-(2-propoxybenzoyl)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

D345-0395

Molecular Formula

C22H24N2O2S (C22 H24 N2 O2 S)

Compound Name

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

IUPAC name

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

SMILES

CCCOc(cccc1)c1C(N(CC1)CCC1c1nc(cccc2)c2s1)=O

InChI

InChI=1S/C22H24N2O2S/c1-2-15-26-19-9-5-3-7-17(19)22(25)24-13-11-16(12-14-24)21-23-18-8-4-6-10-20(18)27-21/h3-10,16H,2,11-15H2,1H3

InChI Key

VVZYVJKDOCKPTC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08546853

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

380.51

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.922

Distribution Coefficient, logD

4.922

Water Solubility, LogSw

-4.58

Polar Surface Area

33.840

Acid Dissociation Constant (pKa)

26.01

Base Dissociation Constant (pKb)

0.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.40

D345-0395 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Human Proteases Annotated Library (2868 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with D345-0395 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D345-0395?
Check Price and Availability of D345-0395, 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 D345-0395 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D345-0395
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D345-0395
  • 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 D345-0395 available by request