4582-0180 Screening compound: [(6-methoxy-4-methylquinazolin-2-yl)sulfanyl](10H-phenothiazin-10-yl)methanone

4582-0180 Screening compound: [(6-methoxy-4-methylquinazolin-2-yl)sulfanyl](10H-phenothiazin-10-yl)methanone
4582-0180 Screening compound: [(6-methoxy-4-methylquinazolin-2-yl)sulfanyl](10H-phenothiazin-10-yl)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound 4582-0180
[(6-methoxy-4-methylquinazolin-2-yl)sulfanyl](10H-phenothiazin-10-yl)methanone

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

4582-0180

Molecular Formula

C23H17N3O2S2 (C23 H17 N3 O2 S2)

Compound Name

[(6-methoxy-4-methylquinazolin-2-yl)sulfanyl](10H-phenothiazin-10-yl)methanone

IUPAC name

[(6-methoxy-4-methylquinazolin-2-yl)sulfanyl](10H-phenothiazin-10-yl)methanone

SMILES

Cc(c1c2)nc(SC(N3c(cccc4)c4Sc4c3cccc4)=O)nc1ccc2OC

InChI

InChI=1S/C23H17N3O2S2/c1-14-16-13-15(28-2)11-12-17(16)25-22(24-14)30-23(27)26-18-7-3-5-9-20(18)29-21-10-6-4-8-19(21)26/h3-13H,1-2H3

InChI Key

FVDSGPTZXKMMAW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03008961

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

431.54

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.213

Distribution Coefficient, logD

6.213

Water Solubility, LogSw

-5.60

Polar Surface Area

39.404

Acid Dissociation Constant (pKa)

30.10

Base Dissociation Constant (pKb)

1.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.70

4582-0180 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin

References: we are preparing a list of scientific research reports with 4582-0180 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4582-0180?
Check Price and Availability of 4582-0180, 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 4582-0180 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4582-0180
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4582-0180
  • 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 4582-0180 available by request