C593-1389 Screening compound: N-[3-(3,4-diethoxyphenyl)-1,2-oxazol-5-yl]-8-methyl-4-oxo-4H-thieno[3,2-c]chromene-2-carboxamide

C593-1389 Screening compound: N-[3-(3,4-diethoxyphenyl)-1,2-oxazol-5-yl]-8-methyl-4-oxo-4H-thieno[3,2-c]chromene-2-carboxamide
C593-1389 Screening compound: N-[3-(3,4-diethoxyphenyl)-1,2-oxazol-5-yl]-8-methyl-4-oxo-4H-thieno[3,2-c]chromene-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C593-1389
N-[3-(3,4-diethoxyphenyl)-1,2-oxazol-5-yl]-8-methyl-4-oxo-4H-thieno[3,2-c]chromene-2-carboxamide

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

C593-1389

Molecular Formula

C26H22N2O6S (C26 H22 N2 O6 S)

Compound Name

N-[3-(3,4-diethoxyphenyl)-1,2-oxazol-5-yl]-8-methyl-4-oxo-4H-thieno[3,2-c]chromene-2-carboxamide

IUPAC name

N-[3-(34-diethoxyphenyl)-12-oxazol-5-yl]-8-methyl-4-oxo-4H-thieno[32-c]chromene-2-carboxamide

SMILES

CCOc(ccc(-c1noc(NC(c2cc(C(Oc3c-4cc(C)cc3)=O)c4s2)=O)c1)c1)c1OCC

InChI

InChI=1S/C26H22N2O6S/c1-4-31-20-9-7-15(11-21(20)32-5-2)18-13-23(34-28-18)27-25(29)22-12-17-24(35-22)16-10-14(3)6-8-19(16)33-26(17)30/h6-13H,4-5H2,1-3H3,(H,27,29)

InChI Key

SCYAXHWHJRHOBE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14774166

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

490.54

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.458

Distribution Coefficient, logD

5.457

Water Solubility, LogSw

-5.42

Polar Surface Area

81.700

Acid Dissociation Constant (pKa)

10.23

Base Dissociation Constant (pKb)

-7.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.20

C593-1389 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Anticancer Library (62698 compounds)

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

Adenosine Receptors Targeted Library (19896 compounds)

Aurora A-B Kinases Targeted Library (9426 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
  • Cancer
  • Digestive system
  • Male
  • Female
  • Hemic and lymphatic
Targets:
  • GPCR
  • Kinases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C593-1389 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C593-1389?
Check Price and Availability of C593-1389, 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 C593-1389 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C593-1389
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C593-1389
  • 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 C593-1389 available by request