0310-0044 Screening compound: 3-methyl-5lambda~6~-naphtho[2,3-a]phenothiazine-5,5,8,13(14H)-tetraone

0310-0044 Screening compound: 3-methyl-5lambda~6~-naphtho[2,3-a]phenothiazine-5,5,8,13(14H)-tetraone
0310-0044 Screening compound: 3-methyl-5lambda~6~-naphtho[2,3-a]phenothiazine-5,5,8,13(14H)-tetraone alternative view

Chemical Structure Depiction of ChemDiv screening compound 0310-0044
3-methyl-5lambda~6~-naphtho[2,3-a]phenothiazine-5,5,8,13(14H)-tetraone

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

0310-0044

Molecular Formula

C21H13NO4S (C21 H13 NO4 S)

Compound Name

3-methyl-5lambda~6~-naphtho[2,3-a]phenothiazine-5,5,8,13(14H)-tetraone

IUPAC name

3-methyl-1314-dihydro-8H-5lambda6-thia-14-azapentaphene-55813-tetrone

SMILES

Cc(cc1)cc2c1Nc(c(C(c1c3cccc1)=O)c(cc1)C3=O)c1S2(=O)=O

InChI

InChI=1S/C21H13NO4S/c1-11-6-8-15-17(10-11)27(25,26)16-9-7-14-18(19(16)22-15)21(24)13-5-3-2-4-12(13)20(14)23/h2-10,22H,1H3

InChI Key

XWMMDJNIBQXRKN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04062322

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

375.4

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

0.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.391

Distribution Coefficient, logD

4.391

Water Solubility, LogSw

-4.54

Polar Surface Area

63.993

Acid Dissociation Constant (pKa)

15.28

Base Dissociation Constant (pKb)

-12.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.80

0310-0044 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Nucleic Acid Ligands (8311 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Nervous system
  • Hemic and lymphatic
  • Immune system

References: we are preparing a list of scientific research reports with 0310-0044 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0310-0044?
Check Price and Availability of 0310-0044, 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 0310-0044 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0310-0044
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0310-0044
  • 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 0310-0044 available by request