S056-0095 Screening compound: 3-{4-[(6-methoxypyridin-3-yl)methyl]piperazine-1-carbonyl}-4,5,6,7-tetrahydro-1H-indazole

S056-0095 Screening compound: 3-{4-[(6-methoxypyridin-3-yl)methyl]piperazine-1-carbonyl}-4,5,6,7-tetrahydro-1H-indazole
S056-0095 Screening compound: 3-{4-[(6-methoxypyridin-3-yl)methyl]piperazine-1-carbonyl}-4,5,6,7-tetrahydro-1H-indazole alternative view

Chemical Structure Depiction of ChemDiv screening compound S056-0095
3-{4-[(6-methoxypyridin-3-yl)methyl]piperazine-1-carbonyl}-4,5,6,7-tetrahydro-1H-indazole

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

S056-0095

Molecular Formula

C19H25N5O2 (C19 H25 N5 O2)

Compound Name

3-{4-[(6-methoxypyridin-3-yl)methyl]piperazine-1-carbonyl}-4,5,6,7-tetrahydro-1H-indazole

IUPAC name

3-{4-[(6-methoxypyridin-3-yl)methyl]piperazine-1-carbonyl}-4567-tetrahydro-1H-indazole

SMILES

COc1ncc(CN(CC2)CCN2C(c2n[nH]c3c2CCCC3)=O)cc1

InChI

InChI=1S/C19H25N5O2/c1-26-17-7-6-14(12-20-17)13-23-8-10-24(11-9-23)19(25)18-15-4-2-3-5-16(15)21-22-18/h6-7,12H,2-5,8-11,13H2,1H3,(H,21,22)

InChI Key

RWCGCJUFCKZYQE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29031168

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

355.44

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

1.387

Distribution Coefficient, logD

1.385

Water Solubility, LogSw

-2.06

Polar Surface Area

61.962

Acid Dissociation Constant (pKa)

12.81

Base Dissociation Constant (pKb)

5.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.60

S056-0095 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Bcl2-PPI Inhibitors Library (12246 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Hemic and lymphatic
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with S056-0095 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S056-0095?
Check Price and Availability of S056-0095, 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 S056-0095 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S056-0095
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S056-0095
  • 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 S056-0095 available by request