P935-0522 Screening compound: 1-(2H-1,3-benzodioxole-5-carbonyl)-2-(4-ethyl-4H-1,2,4-triazol-3-yl)piperidine

P935-0522 Screening compound: 1-(2H-1,3-benzodioxole-5-carbonyl)-2-(4-ethyl-4H-1,2,4-triazol-3-yl)piperidine
P935-0522 Screening compound: 1-(2H-1,3-benzodioxole-5-carbonyl)-2-(4-ethyl-4H-1,2,4-triazol-3-yl)piperidine alternative view

Chemical Structure Depiction of ChemDiv screening compound P935-0522
1-(2H-1,3-benzodioxole-5-carbonyl)-2-(4-ethyl-4H-1,2,4-triazol-3-yl)piperidine

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

P935-0522

Molecular Formula

C17H20N4O3 (C17 H20 N4 O3)

Compound Name

1-(2H-1,3-benzodioxole-5-carbonyl)-2-(4-ethyl-4H-1,2,4-triazol-3-yl)piperidine

IUPAC name

1-(2H-13-benzodioxole-5-carbonyl)-2-(4-ethyl-4H-124-triazol-3-yl)piperidine

SMILES

CCn1c(C(CCCC2)N2C(c(cc2)cc3c2OCO3)=O)nnc1

InChI

InChI=1S/C17H20N4O3/c1-2-20-10-18-19-16(20)13-5-3-4-8-21(13)17(22)12-6-7-14-15(9-12)24-11-23-14/h6-7,9-10,13H,2-5,8,11H2,1H3/t13-/m0/s1

InChI Key

NXEIFODEYPDCMC-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD29031629

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

328.37

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.518

Distribution Coefficient, logD

1.518

Water Solubility, LogSw

-1.98

Polar Surface Area

57.777

Acid Dissociation Constant (pKa)

21.12

Base Dissociation Constant (pKb)

1.89

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

47.10

P935-0522 in Drug Discovery

Included in Screening Libraries

Bcl2-PPI Inhibitors Library (12246 compounds)

CNS MPO Library (28609 compounds)

SmartTM Library (51161 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Hemic and lymphatic
  • Nervous system
  • Cancer
Mechanism of action:
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with P935-0522 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P935-0522?
Check Price and Availability of P935-0522, 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 P935-0522 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P935-0522
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P935-0522
  • 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 P935-0522 available by request