C200-3042 Screening compound: ethyl 2-[(10-oxo-10H-[1,3]dioxolo[4,5-g][1,3,4]thiadiazolo[2,3-b]quinazolin-2-yl)amino]acetate

C200-3042 Screening compound: ethyl 2-[(10-oxo-10H-[1,3]dioxolo[4,5-g][1,3,4]thiadiazolo[2,3-b]quinazolin-2-yl)amino]acetate
C200-3042 Screening compound: ethyl 2-[(10-oxo-10H-[1,3]dioxolo[4,5-g][1,3,4]thiadiazolo[2,3-b]quinazolin-2-yl)amino]acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound C200-3042
ethyl 2-[(10-oxo-10H-[1,3]dioxolo[4,5-g][1,3,4]thiadiazolo[2,3-b]quinazolin-2-yl)amino]acetate

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

C200-3042

Molecular Formula

C14H12N4O5S (C14 H12 N4 O5 S)

Compound Name

ethyl 2-[(10-oxo-10H-[1,3]dioxolo[4,5-g][1,3,4]thiadiazolo[2,3-b]quinazolin-2-yl)amino]acetate

IUPAC name

ethyl 2-({8-oxo-1214-dioxa-4-thia-267-triazatetracyclo[7.7.0.0^{37}.0^{1115}]hexadeca-1(16)25911(15)-pentaen-5-yl}amino)acetate

SMILES

CCOC(CNC(SC1=Nc2c3cc4OCOc4c2)=NN1C3=O)=O

InChI

InChI=1S/C14H12N4O5S/c1-2-21-11(19)5-15-13-17-18-12(20)7-3-9-10(23-6-22-9)4-8(7)16-14(18)24-13/h3-4H,2,5-6H2,1H3,(H,15,17)

InChI Key

YRVGKQVWUUEQNL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14726694

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

348.34

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.763

Distribution Coefficient, logD

1.754

Water Solubility, LogSw

-2.51

Polar Surface Area

85.735

Acid Dissociation Constant (pKa)

10.75

Base Dissociation Constant (pKb)

5.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

C200-3042 in Drug Discovery

Included in Screening Libraries

Antiviral HBV Library (10007 compounds)

Antiviral Library (67538 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

RNA-Protein Interaction Inhibitors Library (1986 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with C200-3042 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C200-3042?
Check Price and Availability of C200-3042, 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 C200-3042 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C200-3042
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C200-3042
  • 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 C200-3042 available by request