P937-3943 Screening compound: 4-[5-({1-[(1-ethyl-1H-pyrazol-4-yl)sulfonyl]pyrrolidin-3-yl}methyl)-4H-1,2,4-triazol-3-yl]pyridine

P937-3943 Screening compound: 4-[5-({1-[(1-ethyl-1H-pyrazol-4-yl)sulfonyl]pyrrolidin-3-yl}methyl)-4H-1,2,4-triazol-3-yl]pyridine
P937-3943 Screening compound: 4-[5-({1-[(1-ethyl-1H-pyrazol-4-yl)sulfonyl]pyrrolidin-3-yl}methyl)-4H-1,2,4-triazol-3-yl]pyridine alternative view

Chemical Structure Depiction of ChemDiv screening compound P937-3943
4-[5-({1-[(1-ethyl-1H-pyrazol-4-yl)sulfonyl]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

P937-3943

Molecular Formula

C17H21N7O2S (C17 H21 N7 O2 S)

Compound Name

4-[5-({1-[(1-ethyl-1H-pyrazol-4-yl)sulfonyl]pyrrolidin-3-yl}methyl)-4H-1,2,4-triazol-3-yl]pyridine

IUPAC name

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

SMILES

CCn1ncc(S(N2CC(Cc3nnc(-c4ccncc4)[nH]3)CC2)(=O)=O)c1

InChI

InChI=1S/C17H21N7O2S/c1-2-23-12-15(10-19-23)27(25,26)24-8-5-13(11-24)9-16-20-17(22-21-16)14-3-6-18-7-4-14/h3-4,6-7,10,12-13H,2,5,8-9,11H2,1H3,(H,20,21,22)/t13-/m0/s1

InChI Key

ROXVMHIHJDGYPB-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD29014190

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

387.47

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.576

Distribution Coefficient, logD

0.552

Water Solubility, LogSw

-1.89

Polar Surface Area

90.683

Acid Dissociation Constant (pKa)

4.47

Base Dissociation Constant (pKb)

4.15

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

41.20

P937-3943 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

KRAS-Targeted Library (16000 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

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases
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 P937-3943 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P937-3943?
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What is the minimum amount of P937-3943 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P937-3943
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P937-3943
  • 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 P937-3943 available by request