F083-0039 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-7-chloro-5-oxo-1-sulfanylidene-1H,4H,5H-[1,3]thiazolo[3,4-a]quinazoline-3-carboxamide

F083-0039 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-7-chloro-5-oxo-1-sulfanylidene-1H,4H,5H-[1,3]thiazolo[3,4-a]quinazoline-3-carboxamide
F083-0039 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-7-chloro-5-oxo-1-sulfanylidene-1H,4H,5H-[1,3]thiazolo[3,4-a]quinazoline-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F083-0039
N-[(2H-1,3-benzodioxol-5-yl)methyl]-7-chloro-5-oxo-1-sulfanylidene-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

F083-0039

Molecular Formula

C19H12ClN3O4S2 (C19 H12 ClN3 O4 S2)

Compound Name

N-[(2H-1,3-benzodioxol-5-yl)methyl]-7-chloro-5-oxo-1-sulfanylidene-1H,4H,5H-[1,3]thiazolo[3,4-a]quinazoline-3-carboxamide

IUPAC name

N-[(2H-13-benzodioxol-5-yl)methyl]-7-chloro-5-oxo-1-sulfanylidene-1H4H5H-[13]thiazolo[34-a]quinazoline-3-carboxamide

SMILES

O=C(C(SC1=S)=C(N2)N1c(ccc(Cl)c1)c1C2=O)NCc(cc1)cc2c1OCO2

InChI

InChI=1S/C19H12ClN3O4S2/c20-10-2-3-12-11(6-10)17(24)22-16-15(29-19(28)23(12)16)18(25)21-7-9-1-4-13-14(5-9)27-8-26-13/h1-6H,7-8H2,(H,21,25)(H,22,24)

InChI Key

UKENCVKSJCPKQB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27100352

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

445.91

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.270

Distribution Coefficient, logD

3.270

Water Solubility, LogSw

-3.78

Polar Surface Area

68.505

Acid Dissociation Constant (pKa)

11.42

Base Dissociation Constant (pKb)

-0.21

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.50

F083-0039 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with F083-0039 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F083-0039?
Check Price and Availability of F083-0039, 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 F083-0039 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F083-0039
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F083-0039
  • 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 F083-0039 available by request