8013-6125 Screening compound: ethyl 5-(acetyloxy)-1-(4-methoxyphenyl)-2-methyl-1H-indole-3-carboxylate

8013-6125 Screening compound: ethyl 5-(acetyloxy)-1-(4-methoxyphenyl)-2-methyl-1H-indole-3-carboxylate
8013-6125 Screening compound: ethyl 5-(acetyloxy)-1-(4-methoxyphenyl)-2-methyl-1H-indole-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-6125
ethyl 5-(acetyloxy)-1-(4-methoxyphenyl)-2-methyl-1H-indole-3-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

8013-6125

Molecular Formula

C21H21NO5 (C21 H21 NO5)

Compound Name

ethyl 5-(acetyloxy)-1-(4-methoxyphenyl)-2-methyl-1H-indole-3-carboxylate

IUPAC name

ethyl 5-(acetyloxy)-1-(4-methoxyphenyl)-2-methyl-1H-indole-3-carboxylate

SMILES

CCOC(c(c1c2ccc(OC(C)=O)c1)c(C)n2-c(cc1)ccc1OC)=O

InChI

InChI=1S/C21H21NO5/c1-5-26-21(24)20-13(2)22(15-6-8-16(25-4)9-7-15)19-11-10-17(12-18(19)20)27-14(3)23/h6-12H,5H2,1-4H3

InChI Key

AQFMCIKXCAHEIN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03686627

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

367.4

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.714

Distribution Coefficient, logD

3.714

Water Solubility, LogSw

-4.39

Polar Surface Area

51.231

Acid Dissociation Constant (pKa)

22.67

Base Dissociation Constant (pKb)

-2.63

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

8013-6125 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Antiviral Library (67538 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 8013-6125 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-6125?
Check Price and Availability of 8013-6125, 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 8013-6125 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-6125
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-6125
  • 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 8013-6125 available by request