P392-1699 Screening compound: 2-{[1-(2,3-DIHYDRO-1,4-BENZODIOXINE-6-SULFONYL)PYRROLIDIN-3-YL]OXY}-N,N-DIMETHYLPYRIDINE-3-CARBOXAMIDE

P392-1699 Screening compound: 2-{[1-(2,3-DIHYDRO-1,4-BENZODIOXINE-6-SULFONYL)PYRROLIDIN-3-YL]OXY}-N,N-DIMETHYLPYRIDINE-3-CARBOXAMIDE
P392-1699 Screening compound: 2-{[1-(2,3-DIHYDRO-1,4-BENZODIOXINE-6-SULFONYL)PYRROLIDIN-3-YL]OXY}-N,N-DIMETHYLPYRIDINE-3-CARBOXAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound P392-1699
2-{[1-(2,3-DIHYDRO-1,4-BENZODIOXINE-6-SULFONYL)PYRROLIDIN-3-YL]OXY}-N,N-DIMETHYLPYRIDINE-3-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

P392-1699

Molecular Formula

C20H23N3O6S (C20 H23 N3 O6 S)

Compound Name

2-{[1-(2,3-DIHYDRO-1,4-BENZODIOXINE-6-SULFONYL)PYRROLIDIN-3-YL]OXY}-N,N-DIMETHYLPYRIDINE-3-CARBOXAMIDE

IUPAC name

n/a

SMILES

CN(C)C(c1cccnc1OC(CC1)CN1S(c(cc1)cc2c1OCCO2)(=O)=O)=O

InChI

InChI=1S/C20H23N3O6S/c1-22(2)20(24)16-4-3-8-21-19(16)29-14-7-9-23(13-14)30(25,26)15-5-6-17-18(12-15)28-11-10-27-17/h3-6,8,12,14H,7,9-11,13H2,1-2H3/t14-/m1/s1

InChI Key

GQHLTCPWCXIDOK-CQSZACIVSA-N

MDL Number (MFCD)

MFCD28999169

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

433.49

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.231

Distribution Coefficient, logD

0.231

Water Solubility, LogSw

-2.36

Polar Surface Area

80.140

Acid Dissociation Constant (pKa)

24.85

Base Dissociation Constant (pKb)

0.56

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.00

P392-1699 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

CNS MPO Library (28609 compounds)

GPCR Targeted Library (31838 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

MEF2-HDAC (class II) Modulators Library (5147 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Cancer
  • Musculoskeletal
  • Female
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands
  • PPI modulators
  • PPI modulators
  • Epigenetic
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with P392-1699 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P392-1699?
Check Price and Availability of P392-1699, 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 P392-1699 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P392-1699
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P392-1699
  • 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 P392-1699 available by request