P936-1172 Screening compound: 3-({1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]pyrrolidin-3-yl}methyl)-4-(propan-2-yl)-4H-1,2,4-triazole

P936-1172 Screening compound: 3-({1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]pyrrolidin-3-yl}methyl)-4-(propan-2-yl)-4H-1,2,4-triazole
P936-1172 Screening compound: 3-({1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]pyrrolidin-3-yl}methyl)-4-(propan-2-yl)-4H-1,2,4-triazole alternative view

Chemical Structure Depiction of ChemDiv screening compound P936-1172
3-({1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]pyrrolidin-3-yl}methyl)-4-(propan-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

P936-1172

Molecular Formula

C15H23N5O3S (C15 H23 N5 O3 S)

Compound Name

3-({1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]pyrrolidin-3-yl}methyl)-4-(propan-2-yl)-4H-1,2,4-triazole

IUPAC name

3-({1-[(35-dimethyl-12-oxazol-4-yl)sulfonyl]pyrrolidin-3-yl}methyl)-4-(propan-2-yl)-4H-124-triazole

SMILES

CC(C)n1c(CC(CC2)CN2S(c2c(C)onc2C)(=O)=O)nnc1

InChI

InChI=1S/C15H23N5O3S/c1-10(2)20-9-16-17-14(20)7-13-5-6-19(8-13)24(21,22)15-11(3)18-23-12(15)4/h9-10,13H,5-8H2,1-4H3/t13-/m0/s1

InChI Key

NNZFUXQLTHXWAL-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD31991779

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

353.45

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.892

Distribution Coefficient, logD

0.891

Water Solubility, LogSw

-1.38

Polar Surface Area

80.411

Acid Dissociation Constant (pKa)

18.76

Base Dissociation Constant (pKb)

7.00

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

66.67

P936-1172 in Drug Discovery

Included in Screening Libraries

Antiviral HBV Library (10007 compounds)

CNS MPO Library (28609 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:
  • Antiviral
  • Infections
  • Immune system
  • Nervous system
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 P936-1172 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P936-1172?
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What is the minimum amount of P936-1172 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P936-1172
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P936-1172
  • 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 P936-1172 available by request