C207-0082 Screening compound: N-[(2,4-dimethoxyphenyl)methyl]-3-(2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl)propanamide

C207-0082 Screening compound: N-[(2,4-dimethoxyphenyl)methyl]-3-(2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl)propanamide
C207-0082 Screening compound: N-[(2,4-dimethoxyphenyl)methyl]-3-(2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C207-0082
N-[(2,4-dimethoxyphenyl)methyl]-3-(2-oxo-2,3-dihydro-1,3-benzoxazol-3-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

C207-0082

Molecular Formula

C19H20N2O5 (C19 H20 N2 O5)

Compound Name

N-[(2,4-dimethoxyphenyl)methyl]-3-(2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl)propanamide

IUPAC name

N-[(24-dimethoxyphenyl)methyl]-3-(2-oxo-23-dihydro-13-benzoxazol-3-yl)propanamide

SMILES

COc1cc(OC)c(CNC(CCN(c(cccc2)c2O2)C2=O)=O)cc1

InChI

InChI=1S/C19H20N2O5/c1-24-14-8-7-13(17(11-14)25-2)12-20-18(22)9-10-21-15-5-3-4-6-16(15)26-19(21)23/h3-8,11H,9-10,12H2,1-2H3,(H,20,22)

InChI Key

BQAPWQRBGJFJLS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14732167

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

356.38

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.561

Distribution Coefficient, logD

2.561

Water Solubility, LogSw

-2.95

Polar Surface Area

62.691

Acid Dissociation Constant (pKa)

13.41

Base Dissociation Constant (pKb)

-1.74

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.30

C207-0082 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 C207-0082 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C207-0082?
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What is the minimum amount of C207-0082 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C207-0082
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C207-0082
  • 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 C207-0082 available by request