P930-0453 Screening compound: 3-{1-[(3-fluorophenyl)methanesulfonyl]pyrrolidin-2-yl}-5-methyl-4H-1,2,4-triazole

P930-0453 Screening compound: 3-{1-[(3-fluorophenyl)methanesulfonyl]pyrrolidin-2-yl}-5-methyl-4H-1,2,4-triazole
P930-0453 Screening compound: 3-{1-[(3-fluorophenyl)methanesulfonyl]pyrrolidin-2-yl}-5-methyl-4H-1,2,4-triazole alternative view

Chemical Structure Depiction of ChemDiv screening compound P930-0453
3-{1-[(3-fluorophenyl)methanesulfonyl]pyrrolidin-2-yl}-5-methyl-4H-1,2,4-triazole

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

P930-0453

Molecular Formula

C14H17FN4O2S (C14 H17 FN4 O2 S)

Compound Name

3-{1-[(3-fluorophenyl)methanesulfonyl]pyrrolidin-2-yl}-5-methyl-4H-1,2,4-triazole

IUPAC name

3-[(2S)-1-[(3-fluorophenyl)methanesulfonyl]pyrrolidin-2-yl]-5-methyl-4H-124-triazole

SMILES

Cc1nnc([C@H](CCC2)N2S(Cc2cc(F)ccc2)(=O)=O)[nH]1

InChI

InChI=1S/C14H17FN4O2S/c1-10-16-14(18-17-10)13-6-3-7-19(13)22(20,21)9-11-4-2-5-12(15)8-11/h2,4-5,8,13H,3,6-7,9H2,1H3,(H,16,17,18)/t13-/m0/s1

InChI Key

VHHABRMBZPAKFI-ZDUSSCGKSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

324.38

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.033

Distribution Coefficient, logD

1.028

Water Solubility, LogSw

-2.23

Polar Surface Area

66.078

Acid Dissociation Constant (pKa)

7.61

Base Dissociation Constant (pKb)

4.92

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.90

P930-0453 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with P930-0453 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P930-0453?
Check Price and Availability of P930-0453, 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 P930-0453 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P930-0453
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P930-0453
  • 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 P930-0453 available by request