E146-0855 Screening compound: 1-benzyl-4-{4H-thiochromeno[3,4-d][1,2]oxazole-3-carbonyl}piperazine

E146-0855 Screening compound: 1-benzyl-4-{4H-thiochromeno[3,4-d][1,2]oxazole-3-carbonyl}piperazine
E146-0855 Screening compound: 1-benzyl-4-{4H-thiochromeno[3,4-d][1,2]oxazole-3-carbonyl}piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound E146-0855
1-benzyl-4-{4H-thiochromeno[3,4-d][1,2]oxazole-3-carbonyl}piperazine

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

E146-0855

Molecular Formula

C22H21N3O2S (C22 H21 N3 O2 S)

Compound Name

1-benzyl-4-{4H-thiochromeno[3,4-d][1,2]oxazole-3-carbonyl}piperazine

IUPAC name

1-benzyl-4-{4H-thiochromeno[34-d][12]oxazole-3-carbonyl}piperazine

SMILES

O=C(c1noc-2c1CSc1c2cccc1)N1CCN(Cc2ccccc2)CC1

InChI

InChI=1S/C22H21N3O2S/c26-22(25-12-10-24(11-13-25)14-16-6-2-1-3-7-16)20-18-15-28-19-9-5-4-8-17(19)21(18)27-23-20/h1-9H,10-15H2

InChI Key

VOKGHOFBSSFESS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14842779

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

391.49

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.314

Distribution Coefficient, logD

3.299

Water Solubility, LogSw

-3.72

Polar Surface Area

42.508

Acid Dissociation Constant (pKa)

19.32

Base Dissociation Constant (pKb)

5.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

E146-0855 in Drug Discovery

Included in Screening Libraries

GPCR Targeted Library (31838 compounds)

PD-1/L1 Library (498 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Cancer
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Immune system
Targets:
  • GPCR
  • Others
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with E146-0855 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E146-0855?
Check Price and Availability of E146-0855, 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 E146-0855 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E146-0855
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E146-0855
  • 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 E146-0855 available by request