L312-0113 Screening compound: methyl 3-ethoxy-5-(6-methoxy-1H-indole-2-amido)-1-benzothiophene-2-carboxylate

L312-0113 Screening compound: methyl 3-ethoxy-5-(6-methoxy-1H-indole-2-amido)-1-benzothiophene-2-carboxylate
L312-0113 Screening compound: methyl 3-ethoxy-5-(6-methoxy-1H-indole-2-amido)-1-benzothiophene-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound L312-0113
methyl 3-ethoxy-5-(6-methoxy-1H-indole-2-amido)-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

L312-0113

Molecular Formula

C22H20N2O5S (C22 H20 N2 O5 S)

Compound Name

methyl 3-ethoxy-5-(6-methoxy-1H-indole-2-amido)-1-benzothiophene-2-carboxylate

IUPAC name

methyl 3-ethoxy-5-(6-methoxy-1H-indole-2-amido)-1-benzothiophene-2-carboxylate

SMILES

CCOc1c(C(OC)=O)sc(cc2)c1cc2NC(c1cc(ccc(OC)c2)c2[nH]1)=O

InChI

InChI=1S/C22H20N2O5S/c1-4-29-19-15-10-13(6-8-18(15)30-20(19)22(26)28-3)23-21(25)17-9-12-5-7-14(27-2)11-16(12)24-17/h5-11,24H,4H2,1-3H3,(H,23,25)

InChI Key

PVXFDMWYXHLPKI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15123451

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

424.48

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.253

Distribution Coefficient, logD

5.253

Water Solubility, LogSw

-5.52

Polar Surface Area

69.440

Acid Dissociation Constant (pKa)

11.55

Base Dissociation Constant (pKb)

-0.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

L312-0113 in Drug Discovery

Included in Screening Libraries

Indole Derivatives (10091 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with L312-0113 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L312-0113?
Check Price and Availability of L312-0113, 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 L312-0113 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L312-0113
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L312-0113
  • 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 L312-0113 available by request