C451-0197 Screening compound: (2E)-2-{[4-(diethylamino)phenyl]methylidene}-6-[(4-propoxyphenyl)methyl]-2H,3H,7H-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione

C451-0197 Screening compound: (2E)-2-{[4-(diethylamino)phenyl]methylidene}-6-[(4-propoxyphenyl)methyl]-2H,3H,7H-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione
C451-0197 Screening compound: (2E)-2-{[4-(diethylamino)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 C451-0197
(2E)-2-{[4-(diethylamino)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

C451-0197

Molecular Formula

C26H28N4O3S (C26 H28 N4 O3 S)

Compound Name

(2E)-2-{[4-(diethylamino)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-{[4-(diethylamino)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)ccc4N(CC)CC)=O)C3=NC2=O)cc1

InChI

InChI=1S/C26H28N4O3S/c1-4-15-33-21-13-9-18(10-14-21)16-22-24(31)27-26-30(28-22)25(32)23(34-26)17-19-7-11-20(12-8-19)29(5-2)6-3/h7-14,17H,4-6,15-16H2,1-3H3

InChI Key

UQGKGJWTXXHRHP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06290935

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

476.6

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.882

Distribution Coefficient, logD

4.880

Water Solubility, LogSw

-4.58

Polar Surface Area

60.706

Acid Dissociation Constant (pKa)

21.46

Base Dissociation Constant (pKb)

8.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.80

C451-0197 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 C451-0197 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C451-0197?
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What is the minimum amount of C451-0197 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C451-0197
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C451-0197
  • 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 C451-0197 available by request