6457-0032 Screening compound: 6-chloro-3-[(4-methoxyphenyl)methyl]-3,4-dihydro-2H-1,3-benzoxazine

6457-0032 Screening compound: 6-chloro-3-[(4-methoxyphenyl)methyl]-3,4-dihydro-2H-1,3-benzoxazine
6457-0032 Screening compound: 6-chloro-3-[(4-methoxyphenyl)methyl]-3,4-dihydro-2H-1,3-benzoxazine alternative view

Chemical Structure Depiction of ChemDiv screening compound 6457-0032
6-chloro-3-[(4-methoxyphenyl)methyl]-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

6457-0032

Molecular Formula

C16H16ClNO2 (C16 H16 ClNO2)

Compound Name

6-chloro-3-[(4-methoxyphenyl)methyl]-3,4-dihydro-2H-1,3-benzoxazine

IUPAC name

6-chloro-3-[(4-methoxyphenyl)methyl]-34-dihydro-2H-13-benzoxazine

SMILES

COc1ccc(CN(C2)COc(cc3)c2cc3Cl)cc1

InChI

InChI=1S/C16H16ClNO2/c1-19-15-5-2-12(3-6-15)9-18-10-13-8-14(17)4-7-16(13)20-11-18/h2-8H,9-11H2,1H3

InChI Key

ZNPJEABWPPMXTH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03854944

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

289.76

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

3.944

Distribution Coefficient, logD

3.733

Water Solubility, LogSw

-4.29

Polar Surface Area

20.367

Acid Dissociation Constant (pKa)

26.35

Base Dissociation Constant (pKb)

7.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

6457-0032 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Anti-Inflammatory Library (24602 compounds)

CNS BBB Library (22607 compounds)

Cardiovascular Library (22201 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 6457-0032 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6457-0032?
Check Price and Availability of 6457-0032, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 6457-0032 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6457-0032
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6457-0032
  • 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 6457-0032 available by request