F083-0314 Screening compound: 7,8-dimethoxy-5-oxo-1-sulfanylidene-N-[3-(trifluoromethyl)phenyl]-1H,4H,5H-[1,3]thiazolo[3,4-a]quinazoline-3-carboxamide

F083-0314 Screening compound: 7,8-dimethoxy-5-oxo-1-sulfanylidene-N-[3-(trifluoromethyl)phenyl]-1H,4H,5H-[1,3]thiazolo[3,4-a]quinazoline-3-carboxamide
F083-0314 Screening compound: 7,8-dimethoxy-5-oxo-1-sulfanylidene-N-[3-(trifluoromethyl)phenyl]-1H,4H,5H-[1,3]thiazolo[3,4-a]quinazoline-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F083-0314
7,8-dimethoxy-5-oxo-1-sulfanylidene-N-[3-(trifluoromethyl)phenyl]-1H,4H,5H-[1,3]thiazolo[3,4-a]quinazoline-3-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

F083-0314

Molecular Formula

C20H14F3N3O4S2 (C20 H14 F3 N3 O4 S2)

Compound Name

7,8-dimethoxy-5-oxo-1-sulfanylidene-N-[3-(trifluoromethyl)phenyl]-1H,4H,5H-[1,3]thiazolo[3,4-a]quinazoline-3-carboxamide

IUPAC name

78-dimethoxy-5-oxo-1-sulfanylidene-N-[3-(trifluoromethyl)phenyl]-1H4H5H-[13]thiazolo[34-a]quinazoline-3-carboxamide

SMILES

COc(c(OC)c1)cc(C(NC2=C(C(Nc3cc(C(F)(F)F)ccc3)=O)S3)=O)c1N2C3=S

InChI

InChI=1S/C20H14F3N3O4S2/c1-29-13-7-11-12(8-14(13)30-2)26-16(25-17(11)27)15(32-19(26)31)18(28)24-10-5-3-4-9(6-10)20(21,22)23/h3-8H,1-2H3,(H,24,28)(H,25,27)

InChI Key

NIVRJQUBCYPZPC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14940210

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

481.48

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.794

Distribution Coefficient, logD

3.794

Water Solubility, LogSw

-4.22

Polar Surface Area

65.328

Acid Dissociation Constant (pKa)

11.10

Base Dissociation Constant (pKb)

0.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

F083-0314 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

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

Aurora A-B Kinases Targeted Library (9426 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Digestive system
  • Male
  • Female
  • Hemic and lymphatic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with F083-0314 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F083-0314?
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What is the minimum amount of F083-0314 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F083-0314
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F083-0314
  • 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 F083-0314 available by request