6187-2469 Screening compound: 2-{3-[(5Z)-2-(2-methoxyphenyl)-6-oxo-5H,6H-[1,2,4]triazolo[3,2-b][1,3]thiazol-5-ylidene]-2-oxo-2,3-dihydro-1H-indol-1-yl}acetic acid

6187-2469 Screening compound: 2-{3-[(5Z)-2-(2-methoxyphenyl)-6-oxo-5H,6H-[1,2,4]triazolo[3,2-b][1,3]thiazol-5-ylidene]-2-oxo-2,3-dihydro-1H-indol-1-yl}acetic acid
6187-2469 Screening compound: 2-{3-[(5Z)-2-(2-methoxyphenyl)-6-oxo-5H,6H-[1,2,4]triazolo[3,2-b][1,3]thiazol-5-ylidene]-2-oxo-2,3-dihydro-1H-indol-1-yl}acetic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 6187-2469
2-{3-[(5Z)-2-(2-methoxyphenyl)-6-oxo-5H,6H-[1,2,4]triazolo[3,2-b][1,3]thiazol-5-ylidene]-2-oxo-2,3-dihydro-1H-indol-1-yl}acetic acid

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

6187-2469

Molecular Formula

C21H14N4O5S (C21 H14 N4 O5 S)

Compound Name

2-{3-[(5Z)-2-(2-methoxyphenyl)-6-oxo-5H,6H-[1,2,4]triazolo[3,2-b][1,3]thiazol-5-ylidene]-2-oxo-2,3-dihydro-1H-indol-1-yl}acetic acid

IUPAC name

2-{3-[(5Z)-2-(2-methoxyphenyl)-6-oxo-5H6H-[124]triazolo[32-b][13]thiazol-5-ylidene]-2-oxo-23-dihydro-1H-indol-1-yl}acetic acid

SMILES

COc(cccc1)c1-c1nn(C(/C(/S2)=C(\c(cccc3)c3N3CC(O)=O)/C3=O)=O)c2n1

InChI

InChI=1S/C21H14N4O5S/c1-30-14-9-5-3-7-12(14)18-22-21-25(23-18)20(29)17(31-21)16-11-6-2-4-8-13(11)24(19(16)28)10-15(26)27/h2-9H,10H2,1H3,(H,26,27)

InChI Key

WDYVVVKBDPGTFS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04032288

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

434.43

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.388

Distribution Coefficient, logD

-2.637

Water Solubility, LogSw

-2.34

Polar Surface Area

88.950

Acid Dissociation Constant (pKa)

3.37

Base Dissociation Constant (pKb)

-4.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.50

References: we are preparing a list of scientific research reports with 6187-2469 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6187-2469?
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What is the minimum amount of 6187-2469 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6187-2469
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6187-2469
  • 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 6187-2469 available by request