C759-0213 Screening compound: N-[2-(2,5-dimethoxyphenyl)ethyl]-2-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-yl)acetamide

C759-0213 Screening compound: N-[2-(2,5-dimethoxyphenyl)ethyl]-2-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-yl)acetamide
C759-0213 Screening compound: N-[2-(2,5-dimethoxyphenyl)ethyl]-2-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C759-0213
N-[2-(2,5-dimethoxyphenyl)ethyl]-2-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-yl)acetamide

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

C759-0213

Molecular Formula

C20H22N2O5 (C20 H22 N2 O5)

Compound Name

N-[2-(2,5-dimethoxyphenyl)ethyl]-2-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-yl)acetamide

IUPAC name

N-[2-(25-dimethoxyphenyl)ethyl]-2-(3-oxo-34-dihydro-2H-14-benzoxazin-2-yl)acetamide

SMILES

COc(cc1)cc(CCNC(CC2Oc(cccc3)c3NC2=O)=O)c1OC

InChI

InChI=1S/C20H22N2O5/c1-25-14-7-8-16(26-2)13(11-14)9-10-21-19(23)12-18-20(24)22-15-5-3-4-6-17(15)27-18/h3-8,11,18H,9-10,12H2,1-2H3,(H,21,23)(H,22,24)/t18-/m0/s1

InChI Key

KHZONBIJNQACIX-SFHVURJKSA-N

MDL Number (MFCD)

MFCD14791778

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

370.41

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

2.185

Distribution Coefficient, logD

2.185

Water Solubility, LogSw

-2.93

Polar Surface Area

72.257

Acid Dissociation Constant (pKa)

11.95

Base Dissociation Constant (pKb)

1.76

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.00

C759-0213 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with C759-0213 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C759-0213?
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What is the minimum amount of C759-0213 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C759-0213
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C759-0213
  • 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 C759-0213 available by request