C746-0098 Screening compound: 3-(4-fluorophenyl)-4-(2-methylpropyl)-1-sulfanylidene-1H,4H,5H-[1,3]thiazolo[3,4-a]quinazolin-5-one

C746-0098 Screening compound: 3-(4-fluorophenyl)-4-(2-methylpropyl)-1-sulfanylidene-1H,4H,5H-[1,3]thiazolo[3,4-a]quinazolin-5-one
C746-0098 Screening compound: 3-(4-fluorophenyl)-4-(2-methylpropyl)-1-sulfanylidene-1H,4H,5H-[1,3]thiazolo[3,4-a]quinazolin-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C746-0098
3-(4-fluorophenyl)-4-(2-methylpropyl)-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

C746-0098

Molecular Formula

C20H17FN2OS2 (C20 H17 FN2 OS2)

Compound Name

3-(4-fluorophenyl)-4-(2-methylpropyl)-1-sulfanylidene-1H,4H,5H-[1,3]thiazolo[3,4-a]quinazolin-5-one

IUPAC name

3-(4-fluorophenyl)-4-(2-methylpropyl)-1-sulfanylidene-1H4H5H-[13]thiazolo[34-a]quinazolin-5-one

SMILES

CC(C)CN(C(N1c2c3cccc2)=C(c(cc2)ccc2F)SC1=S)C3=O

InChI

InChI=1S/C20H17FN2OS2/c1-12(2)11-22-18-17(13-7-9-14(21)10-8-13)26-20(25)23(18)16-6-4-3-5-15(16)19(22)24/h3-10,12H,11H2,1-2H3

InChI Key

UCZHBTQJPWYMRX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14791194

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

384.5

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.280

Distribution Coefficient, logD

5.280

Water Solubility, LogSw

-5.10

Polar Surface Area

18.060

Acid Dissociation Constant (pKa)

25.44

Base Dissociation Constant (pKb)

-4.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

References: we are preparing a list of scientific research reports with C746-0098 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C746-0098?
Check Price and Availability of C746-0098, 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 C746-0098 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C746-0098
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C746-0098
  • 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 C746-0098 available by request