C094-0268 Screening compound: N~1~-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxo-1-phenylethyl]-4-methoxybenzamide

C094-0268 Screening compound: N~1~-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxo-1-phenylethyl]-4-methoxybenzamide
C094-0268 Screening compound: N~1~-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxo-1-phenylethyl]-4-methoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C094-0268
N~1~-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxo-1-phenylethyl]-4-methoxybenzamide

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

C094-0268

Molecular Formula

C24H22N2O5 (C24 H22 N2 O5)

Compound Name

N~1~-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxo-1-phenylethyl]-4-methoxybenzamide

IUPAC name

n/a

SMILES

COc(cc1)ccc1C(NC(C(Nc(cc1)cc2c1OCCO2)=O)c1ccccc1)=O

InChI

InChI=1S/C24H22N2O5/c1-29-19-10-7-17(8-11-19)23(27)26-22(16-5-3-2-4-6-16)24(28)25-18-9-12-20-21(15-18)31-14-13-30-20/h2-12,15,22H,13-14H2,1H3,(H,25,28)(H,26,27)/t22-/m1/s1

InChI Key

JOZVZVSKWYYDKJ-JOCHJYFZSA-N

MDL Number (MFCD)

MFCD03449769

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

418.45

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.568

Distribution Coefficient, logD

2.567

Water Solubility, LogSw

-3.17

Polar Surface Area

70.462

Acid Dissociation Constant (pKa)

10.06

Base Dissociation Constant (pKb)

1.07

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

16.70

C094-0268 in Drug Discovery

Included in Screening Libraries

SH2 Library (10483 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Endocrine
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Mechanism of action:
  • PPI modulators
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with C094-0268 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C094-0268?
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What is the minimum amount of C094-0268 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C094-0268
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C094-0268
  • 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 C094-0268 available by request