0310-0055 Screening compound: 3-chloro-5-(phenylsulfanyl)-6H-anthra[1,9-cd]isoxazol-6-one

0310-0055 Screening compound: 3-chloro-5-(phenylsulfanyl)-6H-anthra[1,9-cd]isoxazol-6-one
0310-0055 Screening compound: 3-chloro-5-(phenylsulfanyl)-6H-anthra[1,9-cd]isoxazol-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 0310-0055
3-chloro-5-(phenylsulfanyl)-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

0310-0055

Molecular Formula

C20H10ClNO2S (C20 H10 ClNO2 S)

Compound Name

3-chloro-5-(phenylsulfanyl)-6H-anthra[1,9-cd]isoxazol-6-one

IUPAC name

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

SMILES

O=C(c(cccc1)c1-c1c2c(c(Cl)c3)no1)c2c3Sc1ccccc1

InChI

InChI=1S/C20H10ClNO2S/c21-14-10-15(25-11-6-2-1-3-7-11)16-17-18(14)22-24-20(17)13-9-5-4-8-12(13)19(16)23/h1-10H

InChI Key

RVAYZAPVACXQLU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00602199

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

363.82

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.919

Distribution Coefficient, logD

5.919

Water Solubility, LogSw

-6.29

Polar Surface Area

34.909

Acid Dissociation Constant (pKa)

14.00

Base Dissociation Constant (pKb)

-10.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

0310-0055 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 0310-0055 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0310-0055?
Check Price and Availability of 0310-0055, 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 0310-0055 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0310-0055
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0310-0055
  • 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 0310-0055 available by request