6718-0089 Screening compound: 3-benzyl-6-methoxy-3,4-dihydro-2H-1,3-benzoxazine

6718-0089 Screening compound: 3-benzyl-6-methoxy-3,4-dihydro-2H-1,3-benzoxazine
6718-0089 Screening compound: 3-benzyl-6-methoxy-3,4-dihydro-2H-1,3-benzoxazine alternative view

Chemical Structure Depiction of ChemDiv screening compound 6718-0089
3-benzyl-6-methoxy-3,4-dihydro-2H-1,3-benzoxazine

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

6718-0089

Molecular Formula

C16H17NO2 (C16 H17 NO2)

Compound Name

3-benzyl-6-methoxy-3,4-dihydro-2H-1,3-benzoxazine

IUPAC name

3-benzyl-6-methoxy-34-dihydro-2H-13-benzoxazine

SMILES

COc(cc1)cc2c1OCN(Cc1ccccc1)C2

InChI

InChI=1S/C16H17NO2/c1-18-15-7-8-16-14(9-15)11-17(12-19-16)10-13-5-3-2-4-6-13/h2-9H,10-12H2,1H3

InChI Key

MBFLBYFWELADSX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04159417

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

255.32

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.376

Distribution Coefficient, logD

1.497

Water Solubility, LogSw

-3.47

Polar Surface Area

20.367

Acid Dissociation Constant (pKa)

26.74

Base Dissociation Constant (pKb)

9.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

6718-0089 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

CNS BBB Library (22607 compounds)

CNS Targets (44014 compounds)

Cardiovascular Library (22201 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Nervous system
  • Nervous system
  • Cardiovascular
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 6718-0089 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6718-0089?
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What is the minimum amount of 6718-0089 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6718-0089
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6718-0089
  • 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 6718-0089 available by request