6764-0286 Screening compound: (2Z)-6-[(4-chlorophenyl)methyl]-2-{[2-(prop-2-en-1-yloxy)phenyl]methylidene}-2H,3H,7H-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione

6764-0286 Screening compound: (2Z)-6-[(4-chlorophenyl)methyl]-2-{[2-(prop-2-en-1-yloxy)phenyl]methylidene}-2H,3H,7H-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione
6764-0286 Screening compound: (2Z)-6-[(4-chlorophenyl)methyl]-2-{[2-(prop-2-en-1-yloxy)phenyl]methylidene}-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 6764-0286
(2Z)-6-[(4-chlorophenyl)methyl]-2-{[2-(prop-2-en-1-yloxy)phenyl]methylidene}-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

6764-0286

Molecular Formula

C22H16ClN3O3S (C22 H16 ClN3 O3 S)

Compound Name

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

IUPAC name

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

SMILES

C=CCOc1c(/C=C(/C(N2N=C3Cc(cc4)ccc4Cl)=O)\SC2=NC3=O)cccc1

InChI

InChI=1S/C22H16ClN3O3S/c1-2-11-29-18-6-4-3-5-15(18)13-19-21(28)26-22(30-19)24-20(27)17(25-26)12-14-7-9-16(23)10-8-14/h2-10,13H,1,11-12H2

InChI Key

BBHCMGWVVGNUII-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06642858

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

437.91

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.789

Distribution Coefficient, logD

4.789

Water Solubility, LogSw

-5.11

Polar Surface Area

58.056

Acid Dissociation Constant (pKa)

20.99

Base Dissociation Constant (pKb)

-0.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

References: we are preparing a list of scientific research reports with 6764-0286 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6764-0286?
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What is the minimum amount of 6764-0286 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6764-0286
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6764-0286
  • 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 6764-0286 available by request