4428-0019 Screening compound: 2-{6-oxo-5-[(3Z)-2-oxo-1-(prop-2-en-1-yl)-2,3-dihydro-1H-indol-3-ylidene]-5H,6H-[1,2,4]triazolo[3,2-b][1,3]thiazol-2-yl}phenyl acetate

4428-0019 Screening compound: 2-{6-oxo-5-[(3Z)-2-oxo-1-(prop-2-en-1-yl)-2,3-dihydro-1H-indol-3-ylidene]-5H,6H-[1,2,4]triazolo[3,2-b][1,3]thiazol-2-yl}phenyl acetate
4428-0019 Screening compound: 2-{6-oxo-5-[(3Z)-2-oxo-1-(prop-2-en-1-yl)-2,3-dihydro-1H-indol-3-ylidene]-5H,6H-[1,2,4]triazolo[3,2-b][1,3]thiazol-2-yl}phenyl acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4428-0019
2-{6-oxo-5-[(3Z)-2-oxo-1-(prop-2-en-1-yl)-2,3-dihydro-1H-indol-3-ylidene]-5H,6H-[1,2,4]triazolo[3,2-b][1,3]thiazol-2-yl}phenyl 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

4428-0019

Molecular Formula

C23H16N4O4S (C23 H16 N4 O4 S)

Compound Name

2-{6-oxo-5-[(3Z)-2-oxo-1-(prop-2-en-1-yl)-2,3-dihydro-1H-indol-3-ylidene]-5H,6H-[1,2,4]triazolo[3,2-b][1,3]thiazol-2-yl}phenyl acetate

IUPAC name

2-{6-oxo-5-[(3Z)-2-oxo-1-(prop-2-en-1-yl)-23-dihydro-1H-indol-3-ylidene]-5H6H-[124]triazolo[32-b][13]thiazol-2-yl}phenyl acetate

SMILES

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

InChI

InChI=1S/C23H16N4O4S/c1-3-12-26-16-10-6-4-8-14(16)18(21(26)29)19-22(30)27-23(32-19)24-20(25-27)15-9-5-7-11-17(15)31-13(2)28/h3-11H,1,12H2,2H3

InChI Key

LPQVXPNBGTUMPI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01457546

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

444.47

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.143

Distribution Coefficient, logD

3.143

Water Solubility, LogSw

-3.62

Polar Surface Area

73.752

Acid Dissociation Constant (pKa)

21.81

Base Dissociation Constant (pKb)

-3.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.70

References: we are preparing a list of scientific research reports with 4428-0019 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4428-0019?
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What is the minimum amount of 4428-0019 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4428-0019
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4428-0019
  • 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 4428-0019 available by request