5310-4998 Screening compound: 3-[(5Z)-2-(4-butoxyphenyl)-6-oxo-5H,6H-[1,2,4]triazolo[3,2-b][1,3]thiazol-5-ylidene]-1-propyl-2,3-dihydro-1H-indol-2-one

5310-4998 Screening compound: 3-[(5Z)-2-(4-butoxyphenyl)-6-oxo-5H,6H-[1,2,4]triazolo[3,2-b][1,3]thiazol-5-ylidene]-1-propyl-2,3-dihydro-1H-indol-2-one
5310-4998 Screening compound: 3-[(5Z)-2-(4-butoxyphenyl)-6-oxo-5H,6H-[1,2,4]triazolo[3,2-b][1,3]thiazol-5-ylidene]-1-propyl-2,3-dihydro-1H-indol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 5310-4998
3-[(5Z)-2-(4-butoxyphenyl)-6-oxo-5H,6H-[1,2,4]triazolo[3,2-b][1,3]thiazol-5-ylidene]-1-propyl-2,3-dihydro-1H-indol-2-one

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

5310-4998

Molecular Formula

C25H24N4O3S (C25 H24 N4 O3 S)

Compound Name

3-[(5Z)-2-(4-butoxyphenyl)-6-oxo-5H,6H-[1,2,4]triazolo[3,2-b][1,3]thiazol-5-ylidene]-1-propyl-2,3-dihydro-1H-indol-2-one

IUPAC name

3-[(5Z)-2-(4-butoxyphenyl)-6-oxo-5H6H-[124]triazolo[32-b][13]thiazol-5-ylidene]-1-propyl-23-dihydro-1H-indol-2-one

SMILES

CCCCOc(cc1)ccc1-c1nn(C(/C(/S2)=C(\c(cccc3)c3N3CCC)/C3=O)=O)c2n1

InChI

InChI=1S/C25H24N4O3S/c1-3-5-15-32-17-12-10-16(11-13-17)22-26-25-29(27-22)24(31)21(33-25)20-18-8-6-7-9-19(18)28(14-4-2)23(20)30/h6-13H,3-5,14-15H2,1-2H3

InChI Key

FGFJYOXOMXRXCB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03007162

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

460.56

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.571

Distribution Coefficient, logD

5.571

Water Solubility, LogSw

-5.36

Polar Surface Area

60.332

Acid Dissociation Constant (pKa)

27.04

Base Dissociation Constant (pKb)

-2.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.00

References: we are preparing a list of scientific research reports with 5310-4998 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5310-4998?
Check Price and Availability of 5310-4998, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 5310-4998 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5310-4998
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5310-4998
  • 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 5310-4998 available by request