5629-1595 Screening compound: 1-ethyl-3-[(5Z)-6-oxo-2-(thiophen-2-yl)-5H,6H-[1,2,4]triazolo[3,2-b][1,3]thiazol-5-ylidene]-2,3-dihydro-1H-indol-2-one

5629-1595 Screening compound: 1-ethyl-3-[(5Z)-6-oxo-2-(thiophen-2-yl)-5H,6H-[1,2,4]triazolo[3,2-b][1,3]thiazol-5-ylidene]-2,3-dihydro-1H-indol-2-one
5629-1595 Screening compound: 1-ethyl-3-[(5Z)-6-oxo-2-(thiophen-2-yl)-5H,6H-[1,2,4]triazolo[3,2-b][1,3]thiazol-5-ylidene]-2,3-dihydro-1H-indol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 5629-1595
1-ethyl-3-[(5Z)-6-oxo-2-(thiophen-2-yl)-5H,6H-[1,2,4]triazolo[3,2-b][1,3]thiazol-5-ylidene]-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

5629-1595

Molecular Formula

C18H12N4O2S2 (C18 H12 N4 O2 S2)

Compound Name

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

IUPAC name

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

SMILES

CCN(c(cccc1)c1/C1=C2/Sc3nc(-c4cccs4)nn3C2=O)C1=O

InChI

InChI=1S/C18H12N4O2S2/c1-2-21-11-7-4-3-6-10(11)13(16(21)23)14-17(24)22-18(26-14)19-15(20-22)12-8-5-9-25-12/h3-9H,2H2,1H3

InChI Key

PQIHPRJVFCBRMU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03534017

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

380.45

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.370

Distribution Coefficient, logD

3.370

Water Solubility, LogSw

-3.82

Polar Surface Area

53.679

Acid Dissociation Constant (pKa)

26.68

Base Dissociation Constant (pKb)

-2.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

5629-1595 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 5629-1595 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5629-1595?
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What is the minimum amount of 5629-1595 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5629-1595
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5629-1595
  • 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 5629-1595 available by request