P935-1579 Screening compound: 4-{2-[4-(cyclopropylmethyl)-4H-1,2,4-triazol-3-yl]piperidine-1-carbonyl}benzonitrile

P935-1579 Screening compound: 4-{2-[4-(cyclopropylmethyl)-4H-1,2,4-triazol-3-yl]piperidine-1-carbonyl}benzonitrile
P935-1579 Screening compound: 4-{2-[4-(cyclopropylmethyl)-4H-1,2,4-triazol-3-yl]piperidine-1-carbonyl}benzonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound P935-1579
4-{2-[4-(cyclopropylmethyl)-4H-1,2,4-triazol-3-yl]piperidine-1-carbonyl}benzonitrile

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

P935-1579

Molecular Formula

C19H21N5O (C19 H21 N5 O)

Compound Name

4-{2-[4-(cyclopropylmethyl)-4H-1,2,4-triazol-3-yl]piperidine-1-carbonyl}benzonitrile

IUPAC name

4-{2-[4-(cyclopropylmethyl)-4H-124-triazol-3-yl]piperidine-1-carbonyl}benzonitrile

SMILES

N#Cc(cc1)ccc1C(N(CCCC1)C1c1nncn1CC1CC1)=O

InChI

InChI=1S/C19H21N5O/c20-11-14-6-8-16(9-7-14)19(25)24-10-2-1-3-17(24)18-22-21-13-23(18)12-15-4-5-15/h6-9,13,15,17H,1-5,10,12H2/t17-/m0/s1

InChI Key

CKGXGWMJMNPIOJ-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD29032296

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

335.41

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

1.943

Distribution Coefficient, logD

1.943

Water Solubility, LogSw

-2.12

Polar Surface Area

58.245

Acid Dissociation Constant (pKa)

21.08

Base Dissociation Constant (pKb)

0.75

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

47.40

P935-1579 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

Bcl2-PPI Inhibitors Library (12246 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with P935-1579 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P935-1579?
Check Price and Availability of P935-1579, 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 P935-1579 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P935-1579
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P935-1579
  • 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 P935-1579 available by request