P936-2582 Screening compound: {3-[(4-ETHYL-4H-1,2,4-TRIAZOL-3-YL)METHYL]-1-PYRROLIDINYL}(1H-INDOL-3-YL)METHANONE

P936-2582 Screening compound: {3-[(4-ETHYL-4H-1,2,4-TRIAZOL-3-YL)METHYL]-1-PYRROLIDINYL}(1H-INDOL-3-YL)METHANONE
P936-2582 Screening compound: {3-[(4-ETHYL-4H-1,2,4-TRIAZOL-3-YL)METHYL]-1-PYRROLIDINYL}(1H-INDOL-3-YL)METHANONE alternative view

Chemical Structure Depiction of ChemDiv screening compound P936-2582
{3-[(4-ETHYL-4H-1,2,4-TRIAZOL-3-YL)METHYL]-1-PYRROLIDINYL}(1H-INDOL-3-YL)METHANONE

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

P936-2582

Molecular Formula

C18H21N5O (C18 H21 N5 O)

Compound Name

{3-[(4-ETHYL-4H-1,2,4-TRIAZOL-3-YL)METHYL]-1-PYRROLIDINYL}(1H-INDOL-3-YL)METHANONE

IUPAC name

3-{3-[(4-ethyl-4H-124-triazol-3-yl)methyl]pyrrolidine-1-carbonyl}-1H-indole

SMILES

CCn1c(CC(CC2)CN2C(c2c[nH]c3c2cccc3)=O)nnc1

InChI

InChI=1S/C18H21N5O/c1-2-22-12-20-21-17(22)9-13-7-8-23(11-13)18(24)15-10-19-16-6-4-3-5-14(15)16/h3-6,10,12-13,19H,2,7-9,11H2,1H3/t13-/m0/s1

InChI Key

WKANTKPFAQZQBU-ZDUSSCGKSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

323.4

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.839

Distribution Coefficient, logD

1.839

Water Solubility, LogSw

-2.51

Polar Surface Area

52.114

Acid Dissociation Constant (pKa)

17.30

Base Dissociation Constant (pKb)

4.44

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.89

P936-2582 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Antiviral Library (67538 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

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Cyclic compounds

References: we are preparing a list of scientific research reports with P936-2582 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P936-2582?
Check Price and Availability of P936-2582, 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 P936-2582 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P936-2582
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P936-2582
  • 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 P936-2582 available by request