5594-2807 Screening compound: (10H-phenothiazin-10-yl)[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]methanone

5594-2807 Screening compound: (10H-phenothiazin-10-yl)[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]methanone
5594-2807 Screening compound: (10H-phenothiazin-10-yl)[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound 5594-2807
(10H-phenothiazin-10-yl)[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]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

5594-2807

Molecular Formula

C21H13N3O2S2 (C21 H13 N3 O2 S2)

Compound Name

(10H-phenothiazin-10-yl)[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]methanone

IUPAC name

(10H-phenothiazin-10-yl)[(5-phenyl-134-oxadiazol-2-yl)sulfanyl]methanone

SMILES

O=C(N1c(cccc2)c2Sc2c1cccc2)Sc1nnc(-c2ccccc2)o1

InChI

InChI=1S/C21H13N3O2S2/c25-21(28-20-23-22-19(26-20)14-8-2-1-3-9-14)24-15-10-4-6-12-17(15)27-18-13-7-5-11-16(18)24/h1-13H

InChI Key

HKFPTRKINQBLJC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02738117

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

403.49

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

5.335

Distribution Coefficient, logD

5.335

Water Solubility, LogSw

-5.69

Polar Surface Area

44.372

Acid Dissociation Constant (pKa)

14.00

Base Dissociation Constant (pKb)

-5.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

5594-2807 in Drug Discovery

Included in Screening Libraries

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 5594-2807 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5594-2807?
Check Price and Availability of 5594-2807, 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 5594-2807 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5594-2807
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5594-2807
  • 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 5594-2807 available by request