P935-1812 Screening compound: 1-[2-(4-BENZYL-4H-1,2,4-TRIAZOL-3-YL)PIPERIDINO]-2-(1H-IMIDAZOL-1-YL)-1-ETHANONE

P935-1812 Screening compound: 1-[2-(4-BENZYL-4H-1,2,4-TRIAZOL-3-YL)PIPERIDINO]-2-(1H-IMIDAZOL-1-YL)-1-ETHANONE
P935-1812 Screening compound: 1-[2-(4-BENZYL-4H-1,2,4-TRIAZOL-3-YL)PIPERIDINO]-2-(1H-IMIDAZOL-1-YL)-1-ETHANONE alternative view

Chemical Structure Depiction of ChemDiv screening compound P935-1812
1-[2-(4-BENZYL-4H-1,2,4-TRIAZOL-3-YL)PIPERIDINO]-2-(1H-IMIDAZOL-1-YL)-1-ETHANONE

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

P935-1812

Molecular Formula

C19H22N6O (C19 H22 N6 O)

Compound Name

1-[2-(4-BENZYL-4H-1,2,4-TRIAZOL-3-YL)PIPERIDINO]-2-(1H-IMIDAZOL-1-YL)-1-ETHANONE

IUPAC name

1-[2-(4-benzyl-4H-124-triazol-3-yl)piperidin-1-yl]-2-(1H-imidazol-1-yl)ethan-1-one

SMILES

O=C(Cn1cncc1)N(CCCC1)C1c1nncn1Cc1ccccc1

InChI

InChI=1S/C19H22N6O/c26-18(13-23-11-9-20-14-23)25-10-5-4-8-17(25)19-22-21-15-24(19)12-16-6-2-1-3-7-16/h1-3,6-7,9,11,14-15,17H,4-5,8,10,12-13H2/t17-/m0/s1

InChI Key

IMPYGOSVVBZEDG-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD29021827

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

350.42

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.873

Distribution Coefficient, logD

0.710

Water Solubility, LogSw

-1.03

Polar Surface Area

52.960

Acid Dissociation Constant (pKa)

19.51

Base Dissociation Constant (pKb)

7.06

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.84

P935-1812 in Drug Discovery

Included in Screening Libraries

Bcl2-PPI Inhibitors Library (12246 compounds)

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

Bromodomain Modulators Library (5801 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with P935-1812 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P935-1812?
Check Price and Availability of P935-1812, 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 P935-1812 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P935-1812
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P935-1812
  • 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 P935-1812 available by request