F083-0036 Screening compound: 7-chloro-3-(piperidine-1-carbonyl)-1-sulfanylidene-1H,4H,5H-[1,3]thiazolo[3,4-a]quinazolin-5-one

F083-0036 Screening compound: 7-chloro-3-(piperidine-1-carbonyl)-1-sulfanylidene-1H,4H,5H-[1,3]thiazolo[3,4-a]quinazolin-5-one
F083-0036 Screening compound: 7-chloro-3-(piperidine-1-carbonyl)-1-sulfanylidene-1H,4H,5H-[1,3]thiazolo[3,4-a]quinazolin-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound F083-0036
7-chloro-3-(piperidine-1-carbonyl)-1-sulfanylidene-1H,4H,5H-[1,3]thiazolo[3,4-a]quinazolin-5-one

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

F083-0036

Molecular Formula

C16H14ClN3O2S2 (C16 H14 ClN3 O2 S2)

Compound Name

7-chloro-3-(piperidine-1-carbonyl)-1-sulfanylidene-1H,4H,5H-[1,3]thiazolo[3,4-a]quinazolin-5-one

IUPAC name

7-chloro-3-(piperidine-1-carbonyl)-1-sulfanylidene-1H4H5H-[13]thiazolo[34-a]quinazolin-5-one

SMILES

O=C(C(SC1=S)=C(N2)N1c(ccc(Cl)c1)c1C2=O)N1CCCCC1

InChI

InChI=1S/C16H14ClN3O2S2/c17-9-4-5-11-10(8-9)14(21)18-13-12(24-16(23)20(11)13)15(22)19-6-2-1-3-7-19/h4-5,8H,1-3,6-7H2,(H,18,21)

InChI Key

AFKZBHAERMSCRV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27100350

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

379.89

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.943

Distribution Coefficient, logD

2.943

Water Solubility, LogSw

-3.73

Polar Surface Area

43.624

Acid Dissociation Constant (pKa)

10.62

Base Dissociation Constant (pKb)

0.72

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.30

F083-0036 in Drug Discovery

Included in Screening Libraries

Eccentric PPI Library (11937 compounds)

KRAS-Targeted Library (16000 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with F083-0036 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F083-0036?
Check Price and Availability of F083-0036, 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 F083-0036 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F083-0036
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F083-0036
  • 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 F083-0036 available by request