L312-0097 Screening compound: methyl 5-{1H,4H,5H-benzo[g]indazole-3-amido}-3-ethoxy-1-benzothiophene-2-carboxylate

L312-0097 Screening compound: methyl 5-{1H,4H,5H-benzo[g]indazole-3-amido}-3-ethoxy-1-benzothiophene-2-carboxylate
L312-0097 Screening compound: methyl 5-{1H,4H,5H-benzo[g]indazole-3-amido}-3-ethoxy-1-benzothiophene-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound L312-0097
methyl 5-{1H,4H,5H-benzo[g]indazole-3-amido}-3-ethoxy-1-benzothiophene-2-carboxylate

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

L312-0097

Molecular Formula

C24H21N3O4S (C24 H21 N3 O4 S)

Compound Name

methyl 5-{1H,4H,5H-benzo[g]indazole-3-amido}-3-ethoxy-1-benzothiophene-2-carboxylate

IUPAC name

methyl 5-{1H4H5H-benzo[g]indazole-3-amido}-3-ethoxy-1-benzothiophene-2-carboxylate

SMILES

CCOc1c(C(OC)=O)sc(cc2)c1cc2NC(c1n[nH]c-2c1CCc1c2cccc1)=O

InChI

InChI=1S/C24H21N3O4S/c1-3-31-21-17-12-14(9-11-18(17)32-22(21)24(29)30-2)25-23(28)20-16-10-8-13-6-4-5-7-15(13)19(16)26-27-20/h4-7,9,11-12H,3,8,10H2,1-2H3,(H,25,28)(H,26,27)

InChI Key

LPVGJYJCYIOKGH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15123448

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

447.51

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.285

Distribution Coefficient, logD

5.285

Water Solubility, LogSw

-5.34

Polar Surface Area

76.589

Acid Dissociation Constant (pKa)

5.85

Base Dissociation Constant (pKb)

-0.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.80

L312-0097 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Hsp90-Targeted Library (11355 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Targeted Diversity Library (40567 compounds)

Aurora A-B Kinases Targeted Library (9426 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Immune system
  • Cancer
  • Digestive system
  • Male
  • Female
  • Hemic and lymphatic
  • Immune system
Mechanism of action:
  • PPI modulators
  • Receptor's ligands
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with L312-0097 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L312-0097?
Check Price and Availability of L312-0097, 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 L312-0097 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L312-0097
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L312-0097
  • 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 L312-0097 available by request