J102-0187 Screening compound: 2-{3-oxo-2H,3H,5H,6H,7H,8H,9H-cyclohepta[c]pyridazin-2-yl}-N-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]acetamide

J102-0187 Screening compound: 2-{3-oxo-2H,3H,5H,6H,7H,8H,9H-cyclohepta[c]pyridazin-2-yl}-N-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]acetamide
J102-0187 Screening compound: 2-{3-oxo-2H,3H,5H,6H,7H,8H,9H-cyclohepta[c]pyridazin-2-yl}-N-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J102-0187
2-{3-oxo-2H,3H,5H,6H,7H,8H,9H-cyclohepta[c]pyridazin-2-yl}-N-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]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

J102-0187

Molecular Formula

C16H21N5O2S (C16 H21 N5 O2 S)

Compound Name

2-{3-oxo-2H,3H,5H,6H,7H,8H,9H-cyclohepta[c]pyridazin-2-yl}-N-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]acetamide

IUPAC name

2-{3-oxo-2H3H5H6H7H8H9H-cyclohepta[c]pyridazin-2-yl}-N-[5-(propan-2-yl)-134-thiadiazol-2-yl]acetamide

SMILES

CC(C)c1nnc(NC(CN2N=C(CCCCC3)C3=CC2=O)=O)s1

InChI

InChI=1S/C16H21N5O2S/c1-10(2)15-18-19-16(24-15)17-13(22)9-21-14(23)8-11-6-4-3-5-7-12(11)20-21/h8,10H,3-7,9H2,1-2H3,(H,17,19,22)

InChI Key

SDSHNORXNAHMIN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD18800058

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

347.44

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.607

Distribution Coefficient, logD

2.582

Water Solubility, LogSw

-2.96

Polar Surface Area

75.258

Acid Dissociation Constant (pKa)

8.64

Base Dissociation Constant (pKb)

-1.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

56.30

J102-0187 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Protein-Protein Interaction Library (218420 compounds)

Soluble Diversity Library (15920 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with J102-0187 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J102-0187?
Check Price and Availability of J102-0187, 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 J102-0187 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J102-0187
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J102-0187
  • 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 J102-0187 available by request