3976-0231 Screening compound: 1-(3-{8-bromo-1H,2H,3H-naphtho[1,2-e][1,3]oxazin-2-yl}phenyl)ethan-1-one

3976-0231 Screening compound: 1-(3-{8-bromo-1H,2H,3H-naphtho[1,2-e][1,3]oxazin-2-yl}phenyl)ethan-1-one
3976-0231 Screening compound: 1-(3-{8-bromo-1H,2H,3H-naphtho[1,2-e][1,3]oxazin-2-yl}phenyl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 3976-0231
1-(3-{8-bromo-1H,2H,3H-naphtho[1,2-e][1,3]oxazin-2-yl}phenyl)ethan-1-one

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

3976-0231

Molecular Formula

C20H16BrNO2 (C20 H16 BrNO2)

Compound Name

1-(3-{8-bromo-1H,2H,3H-naphtho[1,2-e][1,3]oxazin-2-yl}phenyl)ethan-1-one

IUPAC name

1-(3-{8-bromo-1H2H3H-naphtho[12-e][13]oxazin-2-yl}phenyl)ethan-1-one

SMILES

CC(c1cccc(N2COc3ccc(cc(cc4)Br)c4c3C2)c1)=O

InChI

InChI=1S/C20H16BrNO2/c1-13(23)14-3-2-4-17(10-14)22-11-19-18-7-6-16(21)9-15(18)5-8-20(19)24-12-22/h2-10H,11-12H2,1H3

InChI Key

MYITYRGXWLGFQH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02242240

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

382.26

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.033

Distribution Coefficient, logD

5.033

Water Solubility, LogSw

-5.24

Polar Surface Area

26.098

Acid Dissociation Constant (pKa)

21.69

Base Dissociation Constant (pKb)

4.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

3976-0231 in Drug Discovery

Included in Screening Libraries

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 3976-0231 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3976-0231?
Check Price and Availability of 3976-0231, 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 3976-0231 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3976-0231
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3976-0231
  • 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 3976-0231 available by request