5594-2776 Screening compound: 2-(2,3-dimethyl-1H-indol-1-yl)-2-oxoethyl 4-methoxybenzoate

5594-2776 Screening compound: 2-(2,3-dimethyl-1H-indol-1-yl)-2-oxoethyl 4-methoxybenzoate
5594-2776 Screening compound: 2-(2,3-dimethyl-1H-indol-1-yl)-2-oxoethyl 4-methoxybenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5594-2776
2-(2,3-dimethyl-1H-indol-1-yl)-2-oxoethyl 4-methoxybenzoate

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

5594-2776

Molecular Formula

C20H19NO4 (C20 H19 NO4)

Compound Name

2-(2,3-dimethyl-1H-indol-1-yl)-2-oxoethyl 4-methoxybenzoate

IUPAC name

2-(23-dimethyl-1H-indol-1-yl)-2-oxoethyl 4-methoxybenzoate

SMILES

Cc1c(C)n(C(COC(c(cc2)ccc2OC)=O)=O)c2c1cccc2

InChI

InChI=1S/C20H19NO4/c1-13-14(2)21(18-7-5-4-6-17(13)18)19(22)12-25-20(23)15-8-10-16(24-3)11-9-15/h4-11H,12H2,1-3H3

InChI Key

HAFKZJYUGLKASQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03045116

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

337.38

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.685

Distribution Coefficient, logD

3.685

Water Solubility, LogSw

-4.09

Polar Surface Area

43.524

Acid Dissociation Constant (pKa)

20.30

Base Dissociation Constant (pKb)

-6.93

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

5594-2776 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 5594-2776 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5594-2776?
Check Price and Availability of 5594-2776, 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 5594-2776 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5594-2776
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5594-2776
  • 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 5594-2776 available by request