F083-0171 Screening compound: methyl 3-(azepane-1-carbonyl)-5-oxo-1-sulfanylidene-1H,4H,5H-[1,3]thiazolo[3,4-a]quinazoline-8-carboxylate

F083-0171 Screening compound: methyl 3-(azepane-1-carbonyl)-5-oxo-1-sulfanylidene-1H,4H,5H-[1,3]thiazolo[3,4-a]quinazoline-8-carboxylate
F083-0171 Screening compound: methyl 3-(azepane-1-carbonyl)-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 F083-0171
methyl 3-(azepane-1-carbonyl)-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

F083-0171

Molecular Formula

C19H19N3O4S2 (C19 H19 N3 O4 S2)

Compound Name

methyl 3-(azepane-1-carbonyl)-5-oxo-1-sulfanylidene-1H,4H,5H-[1,3]thiazolo[3,4-a]quinazoline-8-carboxylate

IUPAC name

methyl 3-(azepane-1-carbonyl)-5-oxo-1-sulfanylidene-1H4H5H-[13]thiazolo[34-a]quinazoline-8-carboxylate

SMILES

COC(c(cc1)cc(N(C(N2)=C(C(N3CCCCCC3)=O)S3)C3=S)c1C2=O)=O

InChI

InChI=1S/C19H19N3O4S2/c1-26-18(25)11-6-7-12-13(10-11)22-15(20-16(12)23)14(28-19(22)27)17(24)21-8-4-2-3-5-9-21/h6-7,10H,2-5,8-9H2,1H3,(H,20,23)

InChI Key

GMHAAHGXHWAGID-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14940195

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

417.51

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.929

Distribution Coefficient, logD

2.928

Water Solubility, LogSw

-3.56

Polar Surface Area

65.129

Acid Dissociation Constant (pKa)

11.39

Base Dissociation Constant (pKb)

1.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.80

F083-0171 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with F083-0171 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F083-0171?
Check Price and Availability of F083-0171, 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 F083-0171 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F083-0171
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F083-0171
  • 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 F083-0171 available by request