P936-1993 Screening compound: 3-{[1-(3-methylbenzoyl)pyrrolidin-3-yl]methyl}-4-phenyl-4H-1,2,4-triazole

P936-1993 Screening compound: 3-{[1-(3-methylbenzoyl)pyrrolidin-3-yl]methyl}-4-phenyl-4H-1,2,4-triazole
P936-1993 Screening compound: 3-{[1-(3-methylbenzoyl)pyrrolidin-3-yl]methyl}-4-phenyl-4H-1,2,4-triazole alternative view

Chemical Structure Depiction of ChemDiv screening compound P936-1993
3-{[1-(3-methylbenzoyl)pyrrolidin-3-yl]methyl}-4-phenyl-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

P936-1993

Molecular Formula

C21H22N4O (C21 H22 N4 O)

Compound Name

3-{[1-(3-methylbenzoyl)pyrrolidin-3-yl]methyl}-4-phenyl-4H-1,2,4-triazole

IUPAC name

3-{[1-(3-methylbenzoyl)pyrrolidin-3-yl]methyl}-4-phenyl-4H-124-triazole

SMILES

Cc1cccc(C(N2CC(Cc3nncn3-c3ccccc3)CC2)=O)c1

InChI

InChI=1S/C21H22N4O/c1-16-6-5-7-18(12-16)21(26)24-11-10-17(14-24)13-20-23-22-15-25(20)19-8-3-2-4-9-19/h2-9,12,15,17H,10-11,13-14H2,1H3/t17-/m0/s1

InChI Key

FCLSROUELSGSMN-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD31979977

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

346.43

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.833

Distribution Coefficient, logD

2.833

Water Solubility, LogSw

-3.21

Polar Surface Area

42.706

Acid Dissociation Constant (pKa)

25.33

Base Dissociation Constant (pKb)

5.36

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.57

P936-1993 in Drug Discovery

Included in Screening Libraries

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 P936-1993 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P936-1993?
Check Price and Availability of P936-1993, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of P936-1993 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P936-1993
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P936-1993
  • 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 P936-1993 available by request