G289-0048 Screening compound: 1-methyl-N-[(oxolan-2-yl)methyl]-1H,4H,5H-thieno[2,3-g]indazole-3-carboxamide

G289-0048 Screening compound: 1-methyl-N-[(oxolan-2-yl)methyl]-1H,4H,5H-thieno[2,3-g]indazole-3-carboxamide
G289-0048 Screening compound: 1-methyl-N-[(oxolan-2-yl)methyl]-1H,4H,5H-thieno[2,3-g]indazole-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G289-0048
1-methyl-N-[(oxolan-2-yl)methyl]-1H,4H,5H-thieno[2,3-g]indazole-3-carboxamide

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

G289-0048

Molecular Formula

C16H19N3O2S (C16 H19 N3 O2 S)

Compound Name

1-methyl-N-[(oxolan-2-yl)methyl]-1H,4H,5H-thieno[2,3-g]indazole-3-carboxamide

IUPAC name

1-methyl-N-[(oxolan-2-yl)methyl]-1H4H5H-thieno[23-g]indazole-3-carboxamide

SMILES

Cn1nc(C(NCC2OCCC2)=O)c(CC2)c1-c1c2scc1

InChI

InChI=1S/C16H19N3O2S/c1-19-15-11-6-8-22-13(11)5-4-12(15)14(18-19)16(20)17-9-10-3-2-7-21-10/h6,8,10H,2-5,7,9H2,1H3,(H,17,20)/t10-/m1/s1

InChI Key

BONGOUOMCBVKFT-SNVBAGLBSA-N

MDL Number (MFCD)

MFCD14994974

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

317.41

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.511

Distribution Coefficient, logD

1.511

Water Solubility, LogSw

-2.42

Polar Surface Area

48.647

Acid Dissociation Constant (pKa)

13.77

Base Dissociation Constant (pKb)

-0.58

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

G289-0048 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Protein-Protein Interaction Library (218420 compounds)

Soluble Diversity Library (15920 compounds)

Targeted Diversity Library (40567 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • Receptor's ligands
Therapeutical areas:
  • Immune system
Agro:
  • Agro

References: we are preparing a list of scientific research reports with G289-0048 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G289-0048?
Check Price and Availability of G289-0048, 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 G289-0048 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G289-0048
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G289-0048
  • 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 G289-0048 available by request