0310-0111 Screening compound: 3-bromo-5-hydroxy-6H-anthra[1,9-cd]isoxazol-6-one

0310-0111 Screening compound: 3-bromo-5-hydroxy-6H-anthra[1,9-cd]isoxazol-6-one
0310-0111 Screening compound: 3-bromo-5-hydroxy-6H-anthra[1,9-cd]isoxazol-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 0310-0111
3-bromo-5-hydroxy-6H-anthra[1,9-cd]isoxazol-6-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

0310-0111

Molecular Formula

C14H6BrNO3 (C14 H6 BrNO3)

Compound Name

3-bromo-5-hydroxy-6H-anthra[1,9-cd]isoxazol-6-one

IUPAC name

12-bromo-10-hydroxy-15-oxa-14-azatetracyclo[7.6.1.0^{27}.0^{1316}]hexadeca-1(16)2(7)3591113-heptaen-8-one

SMILES

Oc(cc(c1noc(-c2c3cccc2)c11)Br)c1C3=O

InChI

InChI=1S/C14H6BrNO3/c15-8-5-9(17)10-11-12(8)16-19-14(11)7-4-2-1-3-6(7)13(10)18/h1-5,17H

InChI Key

YSUPUSOINSMHJU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01454305

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

316.11

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

0.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.863

Distribution Coefficient, logD

3.730

Water Solubility, LogSw

-4.02

Polar Surface Area

51.729

Acid Dissociation Constant (pKa)

7.84

Base Dissociation Constant (pKb)

-7.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

0310-0111 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Akt-Targeted Library (14764 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 0310-0111 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0310-0111?
Check Price and Availability of 0310-0111, 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 0310-0111 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0310-0111
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0310-0111
  • 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 0310-0111 available by request