S892-0710 Screening compound: 3-(2-{1-ethyl-1H,4H,6H,7H-pyrano[4,3-c]pyrazol-3-yl}piperidine-1-carbonyl)-2,6-dimethoxypyridine

S892-0710 Screening compound: 3-(2-{1-ethyl-1H,4H,6H,7H-pyrano[4,3-c]pyrazol-3-yl}piperidine-1-carbonyl)-2,6-dimethoxypyridine
S892-0710 Screening compound: 3-(2-{1-ethyl-1H,4H,6H,7H-pyrano[4,3-c]pyrazol-3-yl}piperidine-1-carbonyl)-2,6-dimethoxypyridine alternative view

Chemical Structure Depiction of ChemDiv screening compound S892-0710
3-(2-{1-ethyl-1H,4H,6H,7H-pyrano[4,3-c]pyrazol-3-yl}piperidine-1-carbonyl)-2,6-dimethoxypyridine

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

S892-0710

Molecular Formula

C21H28N4O4 (C21 H28 N4 O4)

Compound Name

3-(2-{1-ethyl-1H,4H,6H,7H-pyrano[4,3-c]pyrazol-3-yl}piperidine-1-carbonyl)-2,6-dimethoxypyridine

IUPAC name

3-(2-{1-ethyl-1H4H6H7H-pyrano[43-c]pyrazol-3-yl}piperidine-1-carbonyl)-26-dimethoxypyridine

SMILES

CCn1nc(C(CCCC2)N2C(c(ccc(OC)n2)c2OC)=O)c2c1CCOC2

InChI

InChI=1S/C21H28N4O4/c1-4-25-16-10-12-29-13-15(16)19(23-25)17-7-5-6-11-24(17)21(26)14-8-9-18(27-2)22-20(14)28-3/h8-9,17H,4-7,10-13H2,1-3H3/t17-/m0/s1

InChI Key

TVVXVMJCNFFNAF-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD31953828

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

400.48

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.838

Distribution Coefficient, logD

2.838

Water Solubility, LogSw

-3.12

Polar Surface Area

63.454

Acid Dissociation Constant (pKa)

23.50

Base Dissociation Constant (pKb)

-0.04

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

57.14

S892-0710 in Drug Discovery

Included in Screening Libraries

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

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S892-0710 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S892-0710?
Check Price and Availability of S892-0710, 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 S892-0710 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S892-0710
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S892-0710
  • 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 S892-0710 available by request