C593-1387 Screening compound: N-[3-(3-fluorophenyl)-1,2-oxazol-5-yl]-8-methyl-4-oxo-4H-thieno[3,2-c]chromene-2-carboxamide

C593-1387 Screening compound: N-[3-(3-fluorophenyl)-1,2-oxazol-5-yl]-8-methyl-4-oxo-4H-thieno[3,2-c]chromene-2-carboxamide
C593-1387 Screening compound: N-[3-(3-fluorophenyl)-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 C593-1387
N-[3-(3-fluorophenyl)-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

C593-1387

Molecular Formula

C22H13FN2O4S (C22 H13 FN2 O4 S)

Compound Name

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

IUPAC name

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

SMILES

Cc(cc1)cc(-c2c3cc(C(Nc4cc(-c5cc(F)ccc5)no4)=O)s2)c1OC3=O

InChI

InChI=1S/C22H13FN2O4S/c1-11-5-6-17-14(7-11)20-15(22(27)28-17)9-18(30-20)21(26)24-19-10-16(25-29-19)12-3-2-4-13(23)8-12/h2-10H,1H3,(H,24,26)

InChI Key

VZUCNELPHXPWHY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14774164

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

420.42

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.465

Distribution Coefficient, logD

5.464

Water Solubility, LogSw

-5.51

Polar Surface Area

67.279

Acid Dissociation Constant (pKa)

10.23

Base Dissociation Constant (pKb)

-8.93

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.50

C593-1387 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anticancer Library (62698 compounds)

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

Dark Chemical Matter Library (18430 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Aurora A-B Kinases Targeted Library (9426 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool
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
Agro:
  • Agro

References: we are preparing a list of scientific research reports with C593-1387 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C593-1387?
Check Price and Availability of C593-1387, 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 C593-1387 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C593-1387
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C593-1387
  • 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 C593-1387 available by request