3237-1003 Screening compound: ethyl 1-(4-methoxyphenyl)-2-methyl-5-[(3-phenylprop-2-ynoyl)oxy]-1H-indole-3-carboxylate

3237-1003 Screening compound: ethyl 1-(4-methoxyphenyl)-2-methyl-5-[(3-phenylprop-2-ynoyl)oxy]-1H-indole-3-carboxylate
3237-1003 Screening compound: ethyl 1-(4-methoxyphenyl)-2-methyl-5-[(3-phenylprop-2-ynoyl)oxy]-1H-indole-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3237-1003
ethyl 1-(4-methoxyphenyl)-2-methyl-5-[(3-phenylprop-2-ynoyl)oxy]-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

3237-1003

Molecular Formula

C28H23NO5 (C28 H23 NO5)

Compound Name

ethyl 1-(4-methoxyphenyl)-2-methyl-5-[(3-phenylprop-2-ynoyl)oxy]-1H-indole-3-carboxylate

IUPAC name

ethyl 1-(4-methoxyphenyl)-2-methyl-5-[(3-phenylprop-2-ynoyl)oxy]-1H-indole-3-carboxylate

SMILES

CCOC(c(c1c2ccc(OC(C#Cc3ccccc3)=O)c1)c(C)n2-c(cc1)ccc1OC)=O

InChI

InChI=1S/C28H23NO5/c1-4-33-28(31)27-19(2)29(21-11-13-22(32-3)14-12-21)25-16-15-23(18-24(25)27)34-26(30)17-10-20-8-6-5-7-9-20/h5-9,11-16,18H,4H2,1-3H3

InChI Key

OCWBDYXOOQCMCE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01925373

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

453.49

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.188

Distribution Coefficient, logD

6.188

Water Solubility, LogSw

-5.61

Polar Surface Area

50.263

Acid Dissociation Constant (pKa)

28.91

Base Dissociation Constant (pKb)

-2.63

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

3237-1003 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with 3237-1003 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3237-1003?
Check Price and Availability of 3237-1003, 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 3237-1003 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3237-1003
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3237-1003
  • 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 3237-1003 available by request