C742-0075 Screening compound: N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-({3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl}sulfanyl)acetamide

C742-0075 Screening compound: N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-({3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl}sulfanyl)acetamide
C742-0075 Screening compound: N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-({3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl}sulfanyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C742-0075
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-({3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl}sulfanyl)acetamide

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

C742-0075

Molecular Formula

C17H15N7OS2 (C17 H15 N7 OS2)

Compound Name

N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-({3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl}sulfanyl)acetamide

IUPAC name

N-(5-ethyl-134-thiadiazol-2-yl)-2-({3-phenyl-[124]triazolo[43-b]pyridazin-6-yl}sulfanyl)acetamide

SMILES

CCc1nnc(NC(CSc2nn3c(-c4ccccc4)nnc3cc2)=O)s1

InChI

InChI=1S/C17H15N7OS2/c1-2-14-20-22-17(27-14)18-13(25)10-26-15-9-8-12-19-21-16(24(12)23-15)11-6-4-3-5-7-11/h3-9H,2,10H2,1H3,(H,18,22,25)

InChI Key

LCJSGPHUZNQRID-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05714674

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

397.48

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.986

Distribution Coefficient, logD

2.930

Water Solubility, LogSw

-3.29

Polar Surface Area

78.676

Acid Dissociation Constant (pKa)

8.26

Base Dissociation Constant (pKb)

2.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.60

C742-0075 in Drug Discovery

Included in Screening Libraries

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C742-0075 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of C742-0075 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C742-0075
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C742-0075
  • 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 C742-0075 available by request