S213-0442 Screening compound: 4-chloro-1-ethyl-N-(1-methylpiperidin-4-yl)-N-[(oxolan-3-yl)methyl]-1H-pyrazole-3-carboxamide

S213-0442 Screening compound: 4-chloro-1-ethyl-N-(1-methylpiperidin-4-yl)-N-[(oxolan-3-yl)methyl]-1H-pyrazole-3-carboxamide
S213-0442 Screening compound: 4-chloro-1-ethyl-N-(1-methylpiperidin-4-yl)-N-[(oxolan-3-yl)methyl]-1H-pyrazole-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S213-0442
4-chloro-1-ethyl-N-(1-methylpiperidin-4-yl)-N-[(oxolan-3-yl)methyl]-1H-pyrazole-3-carboxamide

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

S213-0442

Molecular Formula

C17H27ClN4O2 (C17 H27 ClN4 O2)

Compound Name

4-chloro-1-ethyl-N-(1-methylpiperidin-4-yl)-N-[(oxolan-3-yl)methyl]-1H-pyrazole-3-carboxamide

IUPAC name

4-chloro-1-ethyl-N-(1-methylpiperidin-4-yl)-N-[(oxolan-3-yl)methyl]-1H-pyrazole-3-carboxamide

SMILES

CCn1nc(C(N(CC2COCC2)C2CCN(C)CC2)=O)c(Cl)c1

InChI

InChI=1S/C17H27ClN4O2/c1-3-21-11-15(18)16(19-21)17(23)22(10-13-6-9-24-12-13)14-4-7-20(2)8-5-14/h11,13-14H,3-10,12H2,1-2H3/t13-/m1/s1

InChI Key

GQNIOCJOFKAEON-CYBMUJFWSA-N

MDL Number (MFCD)

MFCD28995582

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

354.88

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.432

Distribution Coefficient, logD

-0.655

Water Solubility, LogSw

-2.30

Polar Surface Area

42.912

Acid Dissociation Constant (pKa)

25.50

Base Dissociation Constant (pKb)

9.48

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

76.50

S213-0442 in Drug Discovery

Included in Screening Libraries

Bcl2-PPI Inhibitors Library (12246 compounds)

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

CNS BBB Library (22607 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Hemic and lymphatic
  • Nervous system
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
Agro:
  • Agro

References: we are preparing a list of scientific research reports with S213-0442 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S213-0442?
Check Price and Availability of S213-0442, 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 S213-0442 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S213-0442
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S213-0442
  • 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 S213-0442 available by request