F083-0125 Screening compound: methyl 3-{[(furan-2-yl)methyl]carbamoyl}-5-oxo-1-sulfanylidene-1H,4H,5H-[1,3]thiazolo[3,4-a]quinazoline-8-carboxylate

F083-0125 Screening compound: methyl 3-{[(furan-2-yl)methyl]carbamoyl}-5-oxo-1-sulfanylidene-1H,4H,5H-[1,3]thiazolo[3,4-a]quinazoline-8-carboxylate
F083-0125 Screening compound: methyl 3-{[(furan-2-yl)methyl]carbamoyl}-5-oxo-1-sulfanylidene-1H,4H,5H-[1,3]thiazolo[3,4-a]quinazoline-8-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound F083-0125
methyl 3-{[(furan-2-yl)methyl]carbamoyl}-5-oxo-1-sulfanylidene-1H,4H,5H-[1,3]thiazolo[3,4-a]quinazoline-8-carboxylate

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

F083-0125

Molecular Formula

C18H13N3O5S2 (C18 H13 N3 O5 S2)

Compound Name

methyl 3-{[(furan-2-yl)methyl]carbamoyl}-5-oxo-1-sulfanylidene-1H,4H,5H-[1,3]thiazolo[3,4-a]quinazoline-8-carboxylate

IUPAC name

methyl 3-{[(furan-2-yl)methyl]carbamoyl}-5-oxo-1-sulfanylidene-1H4H5H-[13]thiazolo[34-a]quinazoline-8-carboxylate

SMILES

COC(c(cc1)cc(N(C(N2)=C(C(NCc3ccco3)=O)S3)C3=S)c1C2=O)=O

InChI

InChI=1S/C18H13N3O5S2/c1-25-17(24)9-4-5-11-12(7-9)21-14(20-15(11)22)13(28-18(21)27)16(23)19-8-10-3-2-6-26-10/h2-7H,8H2,1H3,(H,19,23)(H,20,22)

InChI Key

RIUSNTFFUQQIED-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14940192

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

415.45

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.596

Distribution Coefficient, logD

2.596

Water Solubility, LogSw

-3.33

Polar Surface Area

80.312

Acid Dissociation Constant (pKa)

12.19

Base Dissociation Constant (pKb)

-1.54

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

F083-0125 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Antiviral Library (67538 compounds)

Aurora A-B Kinases Targeted Library (9426 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with F083-0125 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F083-0125?
Check Price and Availability of F083-0125, 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 F083-0125 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F083-0125
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F083-0125
  • 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 F083-0125 available by request