P937-3407 Screening compound: 3-[5-({1-[(2-fluorophenyl)methanesulfonyl]pyrrolidin-3-yl}methyl)-4H-1,2,4-triazol-3-yl]pyridine

P937-3407 Screening compound: 3-[5-({1-[(2-fluorophenyl)methanesulfonyl]pyrrolidin-3-yl}methyl)-4H-1,2,4-triazol-3-yl]pyridine
P937-3407 Screening compound: 3-[5-({1-[(2-fluorophenyl)methanesulfonyl]pyrrolidin-3-yl}methyl)-4H-1,2,4-triazol-3-yl]pyridine alternative view

Chemical Structure Depiction of ChemDiv screening compound P937-3407
3-[5-({1-[(2-fluorophenyl)methanesulfonyl]pyrrolidin-3-yl}methyl)-4H-1,2,4-triazol-3-yl]pyridine

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

P937-3407

Molecular Formula

C19H20FN5O2S (C19 H20 FN5 O2 S)

Compound Name

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

IUPAC name

3-[5-({1-[(2-fluorophenyl)methanesulfonyl]pyrrolidin-3-yl}methyl)-4H-124-triazol-3-yl]pyridine

SMILES

O=S(Cc(cccc1)c1F)(N1CC(Cc2nnc(-c3cnccc3)[nH]2)CC1)=O

InChI

InChI=1S/C19H20FN5O2S/c20-17-6-2-1-4-16(17)13-28(26,27)25-9-7-14(12-25)10-18-22-19(24-23-18)15-5-3-8-21-11-15/h1-6,8,11,14H,7,9-10,12-13H2,(H,22,23,24)/t14-/m0/s1

InChI Key

PMGODYJIOZPTDO-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD31983238

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

401.46

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.095

Distribution Coefficient, logD

1.990

Water Solubility, LogSw

-2.18

Polar Surface Area

76.165

Acid Dissociation Constant (pKa)

4.86

Base Dissociation Constant (pKb)

6.67

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.58

P937-3407 in Drug Discovery

Included in Screening Libraries

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

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

Protein-Protein Interaction Library (218420 compounds)

Alpha-Helix Mimetics Library (25899 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with P937-3407 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P937-3407?
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What is the minimum amount of P937-3407 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P937-3407
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P937-3407
  • 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 P937-3407 available by request