P930-5521 Screening compound: 3-(4-fluorophenyl)-5-{1-[(1-methyl-1H-imidazol-4-yl)sulfonyl]pyrrolidin-2-yl}-4H-1,2,4-triazole

P930-5521 Screening compound: 3-(4-fluorophenyl)-5-{1-[(1-methyl-1H-imidazol-4-yl)sulfonyl]pyrrolidin-2-yl}-4H-1,2,4-triazole
P930-5521 Screening compound: 3-(4-fluorophenyl)-5-{1-[(1-methyl-1H-imidazol-4-yl)sulfonyl]pyrrolidin-2-yl}-4H-1,2,4-triazole alternative view

Chemical Structure Depiction of ChemDiv screening compound P930-5521
3-(4-fluorophenyl)-5-{1-[(1-methyl-1H-imidazol-4-yl)sulfonyl]pyrrolidin-2-yl}-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

P930-5521

Molecular Formula

C16H17FN6O2S (C16 H17 FN6 O2 S)

Compound Name

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

IUPAC name

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

SMILES

Cn1cnc(S(N(CCC2)[C@@H]2c2nnc(-c(cc3)ccc3F)[nH]2)(=O)=O)c1

InChI

InChI=1S/C16H17FN6O2S/c1-22-9-14(18-10-22)26(24,25)23-8-2-3-13(23)16-19-15(20-21-16)11-4-6-12(17)7-5-11/h4-7,9-10,13H,2-3,8H2,1H3,(H,19,20,21)/t13-/m0/s1

InChI Key

MQNCZYRIGBBQHX-ZDUSSCGKSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

376.41

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.932

Distribution Coefficient, logD

0.896

Water Solubility, LogSw

-2.19

Polar Surface Area

78.711

Acid Dissociation Constant (pKa)

3.78

Base Dissociation Constant (pKb)

4.45

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.25

P930-5521 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 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 P930-5521 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P930-5521?
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What is the minimum amount of P930-5521 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P930-5521
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P930-5521
  • 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 P930-5521 available by request