8515-4454 Screening compound: 3-(6-chloro-2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl)-N-(2-methoxyphenyl)propanamide

8515-4454 Screening compound: 3-(6-chloro-2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl)-N-(2-methoxyphenyl)propanamide
8515-4454 Screening compound: 3-(6-chloro-2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl)-N-(2-methoxyphenyl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8515-4454
3-(6-chloro-2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl)-N-(2-methoxyphenyl)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

8515-4454

Molecular Formula

C17H15ClN2O4 (C17 H15 ClN2 O4)

Compound Name

3-(6-chloro-2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl)-N-(2-methoxyphenyl)propanamide

IUPAC name

3-(6-chloro-2-oxo-23-dihydro-13-benzoxazol-3-yl)-N-(2-methoxyphenyl)propanamide

SMILES

COc(cccc1)c1NC(CCN(c(ccc(Cl)c1)c1O1)C1=O)=O

InChI

InChI=1S/C17H15ClN2O4/c1-23-14-5-3-2-4-12(14)19-16(21)8-9-20-13-7-6-11(18)10-15(13)24-17(20)22/h2-7,10H,8-9H2,1H3,(H,19,21)

InChI Key

SMJOTWDEAWSLMM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07153116

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

346.77

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.248

Distribution Coefficient, logD

3.248

Water Solubility, LogSw

-3.89

Polar Surface Area

53.127

Acid Dissociation Constant (pKa)

10.47

Base Dissociation Constant (pKb)

1.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.60

8515-4454 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8515-4454 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8515-4454?
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What is the minimum amount of 8515-4454 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8515-4454
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8515-4454
  • 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 8515-4454 available by request