C451-0220 Screening compound: (2E)-2-{[3-methoxy-4-(prop-2-en-1-yloxy)phenyl]methylidene}-6-[(4-propoxyphenyl)methyl]-2H,3H,7H-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione

C451-0220 Screening compound: (2E)-2-{[3-methoxy-4-(prop-2-en-1-yloxy)phenyl]methylidene}-6-[(4-propoxyphenyl)methyl]-2H,3H,7H-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione
C451-0220 Screening compound: (2E)-2-{[3-methoxy-4-(prop-2-en-1-yloxy)phenyl]methylidene}-6-[(4-propoxyphenyl)methyl]-2H,3H,7H-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound C451-0220
(2E)-2-{[3-methoxy-4-(prop-2-en-1-yloxy)phenyl]methylidene}-6-[(4-propoxyphenyl)methyl]-2H,3H,7H-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione

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

C451-0220

Molecular Formula

C26H25N3O5S (C26 H25 N3 O5 S)

Compound Name

(2E)-2-{[3-methoxy-4-(prop-2-en-1-yloxy)phenyl]methylidene}-6-[(4-propoxyphenyl)methyl]-2H,3H,7H-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione

IUPAC name

(2E)-2-{[3-methoxy-4-(prop-2-en-1-yloxy)phenyl]methylidene}-6-[(4-propoxyphenyl)methyl]-2H3H7H-[13]thiazolo[32-b][124]triazine-37-dione

SMILES

CCCOc1ccc(CC2=NN(C(/C(/S3)=C\c(cc4)cc(OC)c4OCC=C)=O)C3=NC2=O)cc1

InChI

InChI=1S/C26H25N3O5S/c1-4-12-33-19-9-6-17(7-10-19)14-20-24(30)27-26-29(28-20)25(31)23(35-26)16-18-8-11-21(34-13-5-2)22(15-18)32-3/h5-11,15-16H,2,4,12-14H2,1,3H3

InChI Key

WHAWTAORGSNZJF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06290954

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

491.57

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.454

Distribution Coefficient, logD

4.454

Water Solubility, LogSw

-4.45

Polar Surface Area

73.104

Acid Dissociation Constant (pKa)

21.46

Base Dissociation Constant (pKb)

-0.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

C451-0220 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C451-0220 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C451-0220?
Check Price and Availability of C451-0220, 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 C451-0220 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C451-0220
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C451-0220
  • 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 C451-0220 available by request