F083-0318 Screening compound: N-(3,5-dichlorophenyl)-7,8-dimethoxy-5-oxo-1-sulfanylidene-1H,4H,5H-[1,3]thiazolo[3,4-a]quinazoline-3-carboxamide

F083-0318 Screening compound: N-(3,5-dichlorophenyl)-7,8-dimethoxy-5-oxo-1-sulfanylidene-1H,4H,5H-[1,3]thiazolo[3,4-a]quinazoline-3-carboxamide
F083-0318 Screening compound: N-(3,5-dichlorophenyl)-7,8-dimethoxy-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 F083-0318
N-(3,5-dichlorophenyl)-7,8-dimethoxy-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

F083-0318

Molecular Formula

C19H13Cl2N3O4S2 (C19 H13 Cl2 N3 O4 S2)

Compound Name

N-(3,5-dichlorophenyl)-7,8-dimethoxy-5-oxo-1-sulfanylidene-1H,4H,5H-[1,3]thiazolo[3,4-a]quinazoline-3-carboxamide

IUPAC name

N-(35-dichlorophenyl)-78-dimethoxy-5-oxo-1-sulfanylidene-1H4H5H-[13]thiazolo[34-a]quinazoline-3-carboxamide

SMILES

COc(c(OC)c1)cc(C(NC2=C(C(Nc3cc(Cl)cc(Cl)c3)=O)S3)=O)c1N2C3=S

InChI

InChI=1S/C19H13Cl2N3O4S2/c1-27-13-6-11-12(7-14(13)28-2)24-16(23-17(11)25)15(30-19(24)29)18(26)22-10-4-8(20)3-9(21)5-10/h3-7H,1-2H3,(H,22,26)(H,23,25)

InChI Key

MPECURPTFWVEKH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14940211

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

482.37

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.282

Distribution Coefficient, logD

4.280

Water Solubility, LogSw

-4.53

Polar Surface Area

65.328

Acid Dissociation Constant (pKa)

9.75

Base Dissociation Constant (pKb)

-1.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.50

F083-0318 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with F083-0318 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F083-0318?
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What is the minimum amount of F083-0318 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F083-0318
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F083-0318
  • 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 F083-0318 available by request