P930-0456 Screening compound: 4-{[2-(5-METHYL-4H-1,2,4-TRIAZOL-3-YL)PYRROLIDIN-1-YL]SULFONYL}BENZONITRILE

P930-0456 Screening compound: 4-{[2-(5-METHYL-4H-1,2,4-TRIAZOL-3-YL)PYRROLIDIN-1-YL]SULFONYL}BENZONITRILE
P930-0456 Screening compound: 4-{[2-(5-METHYL-4H-1,2,4-TRIAZOL-3-YL)PYRROLIDIN-1-YL]SULFONYL}BENZONITRILE alternative view

Chemical Structure Depiction of ChemDiv screening compound P930-0456
4-{[2-(5-METHYL-4H-1,2,4-TRIAZOL-3-YL)PYRROLIDIN-1-YL]SULFONYL}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

P930-0456

Molecular Formula

C14H15N5O2S (C14 H15 N5 O2 S)

Compound Name

4-{[2-(5-METHYL-4H-1,2,4-TRIAZOL-3-YL)PYRROLIDIN-1-YL]SULFONYL}BENZONITRILE

IUPAC name

n/a

SMILES

Cc1nnc([C@H](CCC2)N2S(c(cc2)ccc2C#N)(=O)=O)[nH]1

InChI

InChI=1S/C14H15N5O2S/c1-10-16-14(18-17-10)13-3-2-8-19(13)22(20,21)12-6-4-11(9-15)5-7-12/h4-7,13H,2-3,8H2,1H3,(H,16,17,18)/t13-/m0/s1

InChI Key

VDWSMUBUAZRXJT-ZDUSSCGKSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

317.37

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.640

Distribution Coefficient, logD

0.636

Water Solubility, LogSw

-2.32

Polar Surface Area

83.240

Acid Dissociation Constant (pKa)

7.48

Base Dissociation Constant (pKb)

4.24

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

35.70

P930-0456 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

GPCR Targeted Library (31838 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with P930-0456 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P930-0456?
Check Price and Availability of P930-0456, 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 P930-0456 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P930-0456
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P930-0456
  • 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 P930-0456 available by request