P930-0208 Screening compound: 2-{[2-(5-methyl-4H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methyl}benzonitrile

P930-0208 Screening compound: 2-{[2-(5-methyl-4H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methyl}benzonitrile
P930-0208 Screening compound: 2-{[2-(5-methyl-4H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methyl}benzonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound P930-0208
2-{[2-(5-methyl-4H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methyl}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

P930-0208

Molecular Formula

C15H17N5 (C15 H17 N5)

Compound Name

2-{[2-(5-methyl-4H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methyl}benzonitrile

IUPAC name

2-{[(2S)-2-(5-methyl-4H-124-triazol-3-yl)pyrrolidin-1-yl]methyl}benzonitrile

SMILES

Cc1nnc([C@H]2N(Cc(cccc3)c3C#N)CCC2)[nH]1

InChI

InChI=1S/C15H17N5/c1-11-17-15(19-18-11)14-7-4-8-20(14)10-13-6-3-2-5-12(13)9-16/h2-3,5-6,14H,4,7-8,10H2,1H3,(H,17,18,19)/t14-/m0/s1

InChI Key

CHPAHWANDOMBRR-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD30462141

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

267.33

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.192

Distribution Coefficient, logD

1.175

Water Solubility, LogSw

-2.06

Polar Surface Area

54.651

Acid Dissociation Constant (pKa)

7.28

Base Dissociation Constant (pKb)

5.87

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.00

P930-0208 in Drug Discovery

Included in Screening Libraries

3D-Fragment Library (4274 compounds)

Protein-Protein Interaction Library (218420 compounds)

Soluble Diversity Library (15920 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Fragments
  • Cyclic compounds
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with P930-0208 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P930-0208?
Check Price and Availability of P930-0208, 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 P930-0208 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P930-0208
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P930-0208
  • 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 P930-0208 available by request