D345-0411 Screening compound: 2-[1-(3-methyl-1-benzofuran-2-carbonyl)piperidin-4-yl]-1,3-benzothiazole

D345-0411 Screening compound: 2-[1-(3-methyl-1-benzofuran-2-carbonyl)piperidin-4-yl]-1,3-benzothiazole
D345-0411 Screening compound: 2-[1-(3-methyl-1-benzofuran-2-carbonyl)piperidin-4-yl]-1,3-benzothiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound D345-0411
2-[1-(3-methyl-1-benzofuran-2-carbonyl)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

D345-0411

Molecular Formula

C22H20N2O2S (C22 H20 N2 O2 S)

Compound Name

2-[1-(3-methyl-1-benzofuran-2-carbonyl)piperidin-4-yl]-1,3-benzothiazole

IUPAC name

2-[1-(3-methyl-1-benzofuran-2-carbonyl)piperidin-4-yl]-13-benzothiazole

SMILES

Cc1c(C(N(CC2)CCC2c2nc(cccc3)c3s2)=O)oc2c1cccc2

InChI

InChI=1S/C22H20N2O2S/c1-14-16-6-2-4-8-18(16)26-20(14)22(25)24-12-10-15(11-13-24)21-23-17-7-3-5-9-19(17)27-21/h2-9,15H,10-13H2,1H3

InChI Key

IVUVNUIJRQXZRB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12917636

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

376.48

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.289

Distribution Coefficient, logD

5.289

Water Solubility, LogSw

-5.52

Polar Surface Area

34.861

Acid Dissociation Constant (pKa)

26.08

Base Dissociation Constant (pKb)

0.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

D345-0411 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Agro:
  • Agro
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with D345-0411 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D345-0411?
Check Price and Availability of D345-0411, 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 D345-0411 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D345-0411
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D345-0411
  • 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 D345-0411 available by request