C683-0446 Screening compound: 2-(4-ethoxyphenyl)-4-(methylsulfanyl)-5H-12-oxa-1,3-diazatetraphene

C683-0446 Screening compound: 2-(4-ethoxyphenyl)-4-(methylsulfanyl)-5H-12-oxa-1,3-diazatetraphene
C683-0446 Screening compound: 2-(4-ethoxyphenyl)-4-(methylsulfanyl)-5H-12-oxa-1,3-diazatetraphene alternative view

Chemical Structure Depiction of ChemDiv screening compound C683-0446
2-(4-ethoxyphenyl)-4-(methylsulfanyl)-5H-12-oxa-1,3-diazatetraphene

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

C683-0446

Molecular Formula

C24H20N2O2S (C24 H20 N2 O2 S)

Compound Name

2-(4-ethoxyphenyl)-4-(methylsulfanyl)-5H-12-oxa-1,3-diazatetraphene

IUPAC name

2-(4-ethoxyphenyl)-4-(methylsulfanyl)-5H-12-oxa-13-diazatetraphene

SMILES

CCOc(cc1)ccc1-c1nc(Oc2c(C3)c4ccccc4cc2)c3c(SC)n1

InChI

InChI=1S/C24H20N2O2S/c1-3-27-17-11-8-16(9-12-17)22-25-23-20(24(26-22)29-2)14-19-18-7-5-4-6-15(18)10-13-21(19)28-23/h4-13H,3,14H2,1-2H3

InChI Key

PNJSMWXDXKPYCK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14782594

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

400.5

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

7.157

Distribution Coefficient, logD

7.140

Water Solubility, LogSw

-6.90

Polar Surface Area

33.254

Acid Dissociation Constant (pKa)

8.78

Base Dissociation Constant (pKb)

1.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

C683-0446 in Drug Discovery

Included in Screening Libraries

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

DGK Inhibitors Library (10558 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with C683-0446 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C683-0446?
Check Price and Availability of C683-0446, 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 C683-0446 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C683-0446
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C683-0446
  • 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 C683-0446 available by request