8015-0361 Screening compound: 3-(1,3-benzodioxol-5-ylmethyl)-6-bromo-3,4-dihydro-2H-1,3-benzoxazine

8015-0361 Screening compound: 3-(1,3-benzodioxol-5-ylmethyl)-6-bromo-3,4-dihydro-2H-1,3-benzoxazine
8015-0361 Screening compound: 3-(1,3-benzodioxol-5-ylmethyl)-6-bromo-3,4-dihydro-2H-1,3-benzoxazine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8015-0361
3-(1,3-benzodioxol-5-ylmethyl)-6-bromo-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

8015-0361

Molecular Formula

C16H14BrNO3 (C16 H14 BrNO3)

Compound Name

3-(1,3-benzodioxol-5-ylmethyl)-6-bromo-3,4-dihydro-2H-1,3-benzoxazine

IUPAC name

3-[(2H-13-benzodioxol-5-yl)methyl]-6-bromo-34-dihydro-2H-13-benzoxazine

SMILES

Brc(cc1)cc2c1OCN(Cc(cc1)cc3c1OCO3)C2

InChI

InChI=1S/C16H14BrNO3/c17-13-2-4-14-12(6-13)8-18(9-19-14)7-11-1-3-15-16(5-11)21-10-20-15/h1-6H,7-10H2

InChI Key

QIQQYXPNSLLROK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03854933

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

348.2

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.940

Distribution Coefficient, logD

2.318

Water Solubility, LogSw

-4.06

Polar Surface Area

29.938

Acid Dissociation Constant (pKa)

26.35

Base Dissociation Constant (pKb)

9.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

8015-0361 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with 8015-0361 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8015-0361?
Check Price and Availability of 8015-0361, 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 8015-0361 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8015-0361
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8015-0361
  • 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 8015-0361 available by request