4181-8873 Screening compound: 2-(2,4-dichlorophenoxy)-1-(10H-phenothiazin-10-yl)propan-1-one

4181-8873 Screening compound: 2-(2,4-dichlorophenoxy)-1-(10H-phenothiazin-10-yl)propan-1-one
4181-8873 Screening compound: 2-(2,4-dichlorophenoxy)-1-(10H-phenothiazin-10-yl)propan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 4181-8873
2-(2,4-dichlorophenoxy)-1-(10H-phenothiazin-10-yl)propan-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

4181-8873

Molecular Formula

C21H15Cl2NO2S (C21 H15 Cl2 NO2 S)

Compound Name

2-(2,4-dichlorophenoxy)-1-(10H-phenothiazin-10-yl)propan-1-one

IUPAC name

2-(24-dichlorophenoxy)-1-(10H-phenothiazin-10-yl)propan-1-one

SMILES

CC(C(N1c(cccc2)c2Sc2c1cccc2)=O)Oc(ccc(Cl)c1)c1Cl

InChI

InChI=1S/C21H15Cl2NO2S/c1-13(26-18-11-10-14(22)12-15(18)23)21(25)24-16-6-2-4-8-19(16)27-20-9-5-3-7-17(20)24/h2-13H,1H3/t13-/m0/s1

InChI Key

UMHQWRMZPPFGGZ-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD02757137

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

416.33

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

6.231

Distribution Coefficient, logD

6.231

Water Solubility, LogSw

-6.01

Polar Surface Area

20.745

Acid Dissociation Constant (pKa)

19.33

Base Dissociation Constant (pKb)

-4.32

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

9.50

4181-8873 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

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

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 4181-8873 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4181-8873?
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What is the minimum amount of 4181-8873 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4181-8873
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4181-8873
  • 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 4181-8873 available by request