F083-0163 Screening compound: methyl 3-{[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}-5-oxo-1-sulfanylidene-1H,4H,5H-[1,3]thiazolo[3,4-a]quinazoline-8-carboxylate

F083-0163 Screening compound: methyl 3-{[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}-5-oxo-1-sulfanylidene-1H,4H,5H-[1,3]thiazolo[3,4-a]quinazoline-8-carboxylate
F083-0163 Screening compound: methyl 3-{[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}-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 F083-0163
methyl 3-{[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}-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

F083-0163

Molecular Formula

C21H15N3O6S2 (C21 H15 N3 O6 S2)

Compound Name

methyl 3-{[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}-5-oxo-1-sulfanylidene-1H,4H,5H-[1,3]thiazolo[3,4-a]quinazoline-8-carboxylate

IUPAC name

methyl 3-{[(2H-13-benzodioxol-5-yl)methyl]carbamoyl}-5-oxo-1-sulfanylidene-1H4H5H-[13]thiazolo[34-a]quinazoline-8-carboxylate

SMILES

COC(c(cc1)cc(N(C(N2)=C(C(NCc(cc3)cc4c3OCO4)=O)S3)C3=S)c1C2=O)=O

InChI

InChI=1S/C21H15N3O6S2/c1-28-20(27)11-3-4-12-13(7-11)24-17(23-18(12)25)16(32-21(24)31)19(26)22-8-10-2-5-14-15(6-10)30-9-29-14/h2-7H,8-9H2,1H3,(H,22,26)(H,23,25)

InChI Key

BUZBPFGEORBNBD-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

469.5

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.759

Distribution Coefficient, logD

2.759

Water Solubility, LogSw

-3.43

Polar Surface Area

89.679

Acid Dissociation Constant (pKa)

12.19

Base Dissociation Constant (pKb)

-0.21

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

References: we are preparing a list of scientific research reports with F083-0163 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F083-0163?
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What is the minimum amount of F083-0163 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F083-0163
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F083-0163
  • 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 F083-0163 available by request