P937-3899 Screening compound: N-(2,3-DIHYDRO-1,4-BENZODIOXIN-6-YL)-3-{[5-(PYRIDIN-4-YL)-4H-1,2,4-TRIAZOL-3-YL]METHYL}PYRROLIDINE-1-CARBOXAMIDE

P937-3899 Screening compound: N-(2,3-DIHYDRO-1,4-BENZODIOXIN-6-YL)-3-{[5-(PYRIDIN-4-YL)-4H-1,2,4-TRIAZOL-3-YL]METHYL}PYRROLIDINE-1-CARBOXAMIDE
P937-3899 Screening compound: N-(2,3-DIHYDRO-1,4-BENZODIOXIN-6-YL)-3-{[5-(PYRIDIN-4-YL)-4H-1,2,4-TRIAZOL-3-YL]METHYL}PYRROLIDINE-1-CARBOXAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound P937-3899
N-(2,3-DIHYDRO-1,4-BENZODIOXIN-6-YL)-3-{[5-(PYRIDIN-4-YL)-4H-1,2,4-TRIAZOL-3-YL]METHYL}PYRROLIDINE-1-CARBOXAMIDE

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

P937-3899

Molecular Formula

C21H22N6O3 (C21 H22 N6 O3)

Compound Name

N-(2,3-DIHYDRO-1,4-BENZODIOXIN-6-YL)-3-{[5-(PYRIDIN-4-YL)-4H-1,2,4-TRIAZOL-3-YL]METHYL}PYRROLIDINE-1-CARBOXAMIDE

IUPAC name

N-(23-dihydro-14-benzodioxin-6-yl)-3-{[5-(pyridin-4-yl)-4H-124-triazol-3-yl]methyl}pyrrolidine-1-carboxamide

SMILES

O=C(Nc(cc1)cc2c1OCCO2)N1CC(Cc2nnc(-c3ccncc3)[nH]2)CC1

InChI

InChI=1S/C21H22N6O3/c28-21(23-16-1-2-17-18(12-16)30-10-9-29-17)27-8-5-14(13-27)11-19-24-20(26-25-19)15-3-6-22-7-4-15/h1-4,6-7,12,14H,5,8-11,13H2,(H,23,28)(H,24,25,26)/t14-/m0/s1

InChI Key

SEYMNYRGAVHNKO-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD29014187

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

406.44

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.249

Distribution Coefficient, logD

1.225

Water Solubility, LogSw

-1.53

Polar Surface Area

85.762

Acid Dissociation Constant (pKa)

4.47

Base Dissociation Constant (pKb)

4.15

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

P937-3899 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

GPCR Targeted Library (31838 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:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Cyclic compounds

References: we are preparing a list of scientific research reports with P937-3899 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P937-3899?
Check Price and Availability of P937-3899, 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 P937-3899 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P937-3899
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P937-3899
  • 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 P937-3899 available by request