6764-0285 Screening compound: (2Z)-6-[(4-chlorophenyl)methyl]-2-{[3-methoxy-4-(prop-2-en-1-yloxy)phenyl]methylidene}-2H,3H,7H-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione

6764-0285 Screening compound: (2Z)-6-[(4-chlorophenyl)methyl]-2-{[3-methoxy-4-(prop-2-en-1-yloxy)phenyl]methylidene}-2H,3H,7H-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione
6764-0285 Screening compound: (2Z)-6-[(4-chlorophenyl)methyl]-2-{[3-methoxy-4-(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 6764-0285
(2Z)-6-[(4-chlorophenyl)methyl]-2-{[3-methoxy-4-(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

6764-0285

Molecular Formula

C23H18ClN3O4S (C23 H18 ClN3 O4 S)

Compound Name

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

SMILES

COc(cc(/C=C(/C(N1N=C2Cc(cc3)ccc3Cl)=O)\SC1=NC2=O)cc1)c1OCC=C

InChI

InChI=1S/C23H18ClN3O4S/c1-3-10-31-18-9-6-15(12-19(18)30-2)13-20-22(29)27-23(32-20)25-21(28)17(26-27)11-14-4-7-16(24)8-5-14/h3-9,12-13H,1,10-11H2,2H3

InChI Key

NEVSADBCLYOAGB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04447056

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

467.93

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.090

Distribution Coefficient, logD

4.090

Water Solubility, LogSw

-4.75

Polar Surface Area

65.687

Acid Dissociation Constant (pKa)

20.99

Base Dissociation Constant (pKb)

-0.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.00

References: we are preparing a list of scientific research reports with 6764-0285 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6764-0285?
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What is the minimum amount of 6764-0285 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6764-0285
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6764-0285
  • 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 6764-0285 available by request