S056-0063 Screening compound: 5-{4-[(6-methoxypyridin-3-yl)methyl]piperazine-1-carbonyl}-1H-1,3-benzodiazole

S056-0063 Screening compound: 5-{4-[(6-methoxypyridin-3-yl)methyl]piperazine-1-carbonyl}-1H-1,3-benzodiazole
S056-0063 Screening compound: 5-{4-[(6-methoxypyridin-3-yl)methyl]piperazine-1-carbonyl}-1H-1,3-benzodiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound S056-0063
5-{4-[(6-methoxypyridin-3-yl)methyl]piperazine-1-carbonyl}-1H-1,3-benzodiazole

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

S056-0063

Molecular Formula

C19H21N5O2 (C19 H21 N5 O2)

Compound Name

5-{4-[(6-methoxypyridin-3-yl)methyl]piperazine-1-carbonyl}-1H-1,3-benzodiazole

IUPAC name

5-{4-[(6-methoxypyridin-3-yl)methyl]piperazine-1-carbonyl}-1H-13-benzodiazole

SMILES

COc1ncc(CN(CC2)CCN2C(c(cc2)cc3c2[nH]cn3)=O)cc1

InChI

InChI=1S/C19H21N5O2/c1-26-18-5-2-14(11-20-18)12-23-6-8-24(9-7-23)19(25)15-3-4-16-17(10-15)22-13-21-16/h2-5,10-11,13H,6-9,12H2,1H3,(H,21,22)

InChI Key

JSSSSBXISUVMPE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29030630

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

351.41

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.815

Distribution Coefficient, logD

0.807

Water Solubility, LogSw

-1.99

Polar Surface Area

57.539

Acid Dissociation Constant (pKa)

11.42

Base Dissociation Constant (pKb)

5.66

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.60

S056-0063 in Drug Discovery

Included in Screening Libraries

GPCR Targeted Library (31838 compounds)

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with S056-0063 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S056-0063?
Check Price and Availability of S056-0063, 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 S056-0063 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S056-0063
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S056-0063
  • 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 S056-0063 available by request