4344-0011 Screening compound: ethyl 1-(4-ethoxyphenyl)-2-methyl-5-(2-propynyloxy)-1H-indole-3-carboxylate

4344-0011 Screening compound: ethyl 1-(4-ethoxyphenyl)-2-methyl-5-(2-propynyloxy)-1H-indole-3-carboxylate
4344-0011 Screening compound: ethyl 1-(4-ethoxyphenyl)-2-methyl-5-(2-propynyloxy)-1H-indole-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4344-0011
ethyl 1-(4-ethoxyphenyl)-2-methyl-5-(2-propynyloxy)-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

4344-0011

Molecular Formula

C23H23NO4 (C23 H23 NO4)

Compound Name

ethyl 1-(4-ethoxyphenyl)-2-methyl-5-(2-propynyloxy)-1H-indole-3-carboxylate

IUPAC name

ethyl 1-(4-ethoxyphenyl)-2-methyl-5-(prop-2-yn-1-yloxy)-1H-indole-3-carboxylate

SMILES

CCOC(c(c1c2ccc(OCC#C)c1)c(C)n2-c(cc1)ccc1OCC)=O

InChI

InChI=1S/C23H23NO4/c1-5-14-28-19-12-13-21-20(15-19)22(23(25)27-7-3)16(4)24(21)17-8-10-18(11-9-17)26-6-2/h1,8-13,15H,6-7,14H2,2-4H3

InChI Key

UBGUNJJUSRMHFB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06244745

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

377.44

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.787

Distribution Coefficient, logD

4.787

Water Solubility, LogSw

-4.89

Polar Surface Area

37.477

Acid Dissociation Constant (pKa)

24.96

Base Dissociation Constant (pKb)

-2.63

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.09

4344-0011 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with 4344-0011 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4344-0011?
Check Price and Availability of 4344-0011, 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 4344-0011 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4344-0011
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4344-0011
  • 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 4344-0011 available by request