F083-0047 Screening compound: 3-(azepane-1-carbonyl)-7-chloro-1-sulfanylidene-1H,4H,5H-[1,3]thiazolo[3,4-a]quinazolin-5-one

F083-0047 Screening compound: 3-(azepane-1-carbonyl)-7-chloro-1-sulfanylidene-1H,4H,5H-[1,3]thiazolo[3,4-a]quinazolin-5-one
F083-0047 Screening compound: 3-(azepane-1-carbonyl)-7-chloro-1-sulfanylidene-1H,4H,5H-[1,3]thiazolo[3,4-a]quinazolin-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound F083-0047
3-(azepane-1-carbonyl)-7-chloro-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

F083-0047

Molecular Formula

C17H16ClN3O2S2 (C17 H16 ClN3 O2 S2)

Compound Name

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

IUPAC name

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

SMILES

O=C(C(SC1=S)=C(N2)N1c(ccc(Cl)c1)c1C2=O)N1CCCCCC1

InChI

InChI=1S/C17H16ClN3O2S2/c18-10-5-6-12-11(9-10)15(22)19-14-13(25-17(24)21(12)14)16(23)20-7-3-1-2-4-8-20/h5-6,9H,1-4,7-8H2,(H,19,22)

InChI Key

RONPGYBOUJHLOD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14940185

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

393.92

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

3.439

Distribution Coefficient, logD

3.439

Water Solubility, LogSw

-3.97

Polar Surface Area

43.955

Acid Dissociation Constant (pKa)

10.62

Base Dissociation Constant (pKb)

1.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.30

References: we are preparing a list of scientific research reports with F083-0047 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F083-0047?
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What is the minimum amount of F083-0047 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F083-0047
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F083-0047
  • 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 F083-0047 available by request