P937-3925 Screening compound: 3-{[5-(4-pyridyl)-4H-1,2,4-triazol-3-yl]methyl}-1-pyrrolidinyl (2-thienyl) sulfone

P937-3925 Screening compound: 3-{[5-(4-pyridyl)-4H-1,2,4-triazol-3-yl]methyl}-1-pyrrolidinyl (2-thienyl) sulfone
P937-3925 Screening compound: 3-{[5-(4-pyridyl)-4H-1,2,4-triazol-3-yl]methyl}-1-pyrrolidinyl (2-thienyl) sulfone alternative view

Chemical Structure Depiction of ChemDiv screening compound P937-3925
3-{[5-(4-pyridyl)-4H-1,2,4-triazol-3-yl]methyl}-1-pyrrolidinyl (2-thienyl) sulfone

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

P937-3925

Molecular Formula

C16H17N5O2S2 (C16 H17 N5 O2 S2)

Compound Name

3-{[5-(4-pyridyl)-4H-1,2,4-triazol-3-yl]methyl}-1-pyrrolidinyl (2-thienyl) sulfone

IUPAC name

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

SMILES

O=S(c1cccs1)(N1CC(Cc2nnc(-c3ccncc3)[nH]2)CC1)=O

InChI

InChI=1S/C16H17N5O2S2/c22-25(23,15-2-1-9-24-15)21-8-5-12(11-21)10-14-18-16(20-19-14)13-3-6-17-7-4-13/h1-4,6-7,9,12H,5,8,10-11H2,(H,18,19,20)/t12-/m0/s1

InChI Key

FAMFOYSJIKQKCT-LBPRGKRZSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

375.48

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.726

Distribution Coefficient, logD

1.703

Water Solubility, LogSw

-2.14

Polar Surface Area

77.199

Acid Dissociation Constant (pKa)

4.47

Base Dissociation Constant (pKb)

4.15

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.25

P937-3925 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

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

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
  • PPI modulators
Structure:
  • Mimetics
  • Cyclic compounds

References: we are preparing a list of scientific research reports with P937-3925 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P937-3925?
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What is the minimum amount of P937-3925 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P937-3925
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P937-3925
  • 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 P937-3925 available by request