P090-0428 Screening compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1H-indol-4-yl)propanamide

P090-0428 Screening compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1H-indol-4-yl)propanamide
P090-0428 Screening compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1H-indol-4-yl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P090-0428
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1H-indol-4-yl)propanamide

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

P090-0428

Molecular Formula

C19H18N2O3 (C19 H18 N2 O3)

Compound Name

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1H-indol-4-yl)propanamide

IUPAC name

N-(23-dihydro-14-benzodioxin-6-yl)-3-(1H-indol-4-yl)propanamide

SMILES

O=C(CCc1c(cc[nH]2)c2ccc1)Nc(cc1)cc2c1OCCO2

InChI

InChI=1S/C19H18N2O3/c22-19(7-4-13-2-1-3-16-15(13)8-9-20-16)21-14-5-6-17-18(12-14)24-11-10-23-17/h1-3,5-6,8-9,12,20H,4,7,10-11H2,(H,21,22)

InChI Key

QQJURSKNTNLELY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27563696

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

322.36

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.427

Distribution Coefficient, logD

2.427

Water Solubility, LogSw

-3.06

Polar Surface Area

48.721

Acid Dissociation Constant (pKa)

10.68

Base Dissociation Constant (pKb)

2.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.10

P090-0428 in Drug Discovery

Included in Screening Libraries

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

Indole Derivatives (10091 compounds)

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with P090-0428 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P090-0428?
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What is the minimum amount of P090-0428 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P090-0428
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P090-0428
  • 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 P090-0428 available by request