6187-1946 Screening compound: 2-bromo-4-{[(5Z)-2-(3,4-dimethoxyphenyl)-6-oxo-5H,6H-[1,2,4]triazolo[3,2-b][1,3]thiazol-5-ylidene]methyl}-6-methoxyphenyl acetate

6187-1946 Screening compound: 2-bromo-4-{[(5Z)-2-(3,4-dimethoxyphenyl)-6-oxo-5H,6H-[1,2,4]triazolo[3,2-b][1,3]thiazol-5-ylidene]methyl}-6-methoxyphenyl acetate
6187-1946 Screening compound: 2-bromo-4-{[(5Z)-2-(3,4-dimethoxyphenyl)-6-oxo-5H,6H-[1,2,4]triazolo[3,2-b][1,3]thiazol-5-ylidene]methyl}-6-methoxyphenyl acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 6187-1946
2-bromo-4-{[(5Z)-2-(3,4-dimethoxyphenyl)-6-oxo-5H,6H-[1,2,4]triazolo[3,2-b][1,3]thiazol-5-ylidene]methyl}-6-methoxyphenyl 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

6187-1946

Molecular Formula

C22H18BrN3O6S (C22 H18 BrN3 O6 S)

Compound Name

2-bromo-4-{[(5Z)-2-(3,4-dimethoxyphenyl)-6-oxo-5H,6H-[1,2,4]triazolo[3,2-b][1,3]thiazol-5-ylidene]methyl}-6-methoxyphenyl acetate

IUPAC name

2-bromo-4-{[(5Z)-2-(34-dimethoxyphenyl)-6-oxo-5H6H-[124]triazolo[32-b][13]thiazol-5-ylidene]methyl}-6-methoxyphenyl acetate

SMILES

CC(Oc(c(OC)cc(/C=C1\Sc2nc(-c(cc3)cc(OC)c3OC)nn2C1=O)c1)c1Br)=O

InChI

InChI=1S/C22H18BrN3O6S/c1-11(27)32-19-14(23)7-12(8-17(19)31-4)9-18-21(28)26-22(33-18)24-20(25-26)13-5-6-15(29-2)16(10-13)30-3/h5-10H,1-4H3

InChI Key

LTNSQYCKBUDTGY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04448701

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

532.37

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.860

Distribution Coefficient, logD

3.860

Water Solubility, LogSw

-4.20

Polar Surface Area

81.012

Acid Dissociation Constant (pKa)

22.43

Base Dissociation Constant (pKb)

-3.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

References: we are preparing a list of scientific research reports with 6187-1946 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 6187-1946 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6187-1946
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6187-1946
  • 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 6187-1946 available by request