V019-6888 Screening compound: (4-benzylpiperidino)[3-methyl-5-(2-thienyl)-4-isoxazolyl]methanone

V019-6888 Screening compound: (4-benzylpiperidino)[3-methyl-5-(2-thienyl)-4-isoxazolyl]methanone
V019-6888 Screening compound: (4-benzylpiperidino)[3-methyl-5-(2-thienyl)-4-isoxazolyl]methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound V019-6888
(4-benzylpiperidino)[3-methyl-5-(2-thienyl)-4-isoxazolyl]methanone

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

V019-6888

Molecular Formula

C21H22N2O2S (C21 H22 N2 O2 S)

Compound Name

(4-benzylpiperidino)[3-methyl-5-(2-thienyl)-4-isoxazolyl]methanone

IUPAC name

4-benzyl-1-[3-methyl-5-(thiophen-2-yl)-12-oxazole-4-carbonyl]piperidine

SMILES

Cc1noc(-c2cccs2)c1C(N1CCC(Cc2ccccc2)CC1)=O

InChI

InChI=1S/C21H22N2O2S/c1-15-19(20(25-22-15)18-8-5-13-26-18)21(24)23-11-9-17(10-12-23)14-16-6-3-2-4-7-16/h2-8,13,17H,9-12,14H2,1H3

InChI Key

XBXQHUFVFGEIEG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19956153

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

366.48

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.809

Distribution Coefficient, logD

4.809

Water Solubility, LogSw

-4.78

Polar Surface Area

39.979

Acid Dissociation Constant (pKa)

25.45

Base Dissociation Constant (pKb)

-1.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.33

V019-6888 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

GPCR Targeted Library (31838 compounds)

Immunological Library (6760 compounds)

Indoleamine 2,3-dioxygenase 1 Focused Library (5816 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with V019-6888 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V019-6888?
Check Price and Availability of V019-6888, 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 V019-6888 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V019-6888
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V019-6888
  • 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 V019-6888 available by request