K233-0047 Screening compound: methyl 3-[(3,4-dimethoxyphenyl)carbamoyl]-5-oxo-1-sulfanylidene-1H,4H,5H-[1,3]thiazolo[3,4-a]quinazoline-8-carboxylate

K233-0047 Screening compound: methyl 3-[(3,4-dimethoxyphenyl)carbamoyl]-5-oxo-1-sulfanylidene-1H,4H,5H-[1,3]thiazolo[3,4-a]quinazoline-8-carboxylate
K233-0047 Screening compound: methyl 3-[(3,4-dimethoxyphenyl)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 K233-0047
methyl 3-[(3,4-dimethoxyphenyl)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

K233-0047

Molecular Formula

C21H17N3O6S2 (C21 H17 N3 O6 S2)

Compound Name

methyl 3-[(3,4-dimethoxyphenyl)carbamoyl]-5-oxo-1-sulfanylidene-1H,4H,5H-[1,3]thiazolo[3,4-a]quinazoline-8-carboxylate

IUPAC name

methyl 3-[(34-dimethoxyphenyl)carbamoyl]-5-oxo-1-sulfanylidene-1H4H5H-[13]thiazolo[34-a]quinazoline-8-carboxylate

SMILES

COC(c(cc1)cc(N(C(N2)=C(C(Nc(cc3)cc(OC)c3OC)=O)S3)C3=S)c1C2=O)=O

InChI

InChI=1S/C21H17N3O6S2/c1-28-14-7-5-11(9-15(14)29-2)22-19(26)16-17-23-18(25)12-6-4-10(20(27)30-3)8-13(12)24(17)21(31)32-16/h4-9H,1-3H3,(H,22,26)(H,23,25)

InChI Key

LZHHQCRPFZIYGI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15083209

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

471.51

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.629

Distribution Coefficient, logD

2.629

Water Solubility, LogSw

-3.46

Polar Surface Area

86.502

Acid Dissociation Constant (pKa)

12.20

Base Dissociation Constant (pKb)

1.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

K233-0047 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Antiviral Library (67538 compounds)

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Antiviral
  • Infections
  • Immune system
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with K233-0047 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K233-0047?
Check Price and Availability of K233-0047, 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 K233-0047 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K233-0047
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K233-0047
  • 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 K233-0047 available by request