5482-0041 Screening compound: methyl 1-benzyl-5-hydroxy-2-methyl-1H-indole-3-carboxylate

5482-0041 Screening compound: methyl 1-benzyl-5-hydroxy-2-methyl-1H-indole-3-carboxylate
5482-0041 Screening compound: methyl 1-benzyl-5-hydroxy-2-methyl-1H-indole-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5482-0041
methyl 1-benzyl-5-hydroxy-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

5482-0041

Molecular Formula

C18H17NO3 (C18 H17 NO3)

Compound Name

methyl 1-benzyl-5-hydroxy-2-methyl-1H-indole-3-carboxylate

IUPAC name

methyl 1-benzyl-5-hydroxy-2-methyl-1H-indole-3-carboxylate

SMILES

Cc1c(C(OC)=O)c(cc(cc2)O)c2n1Cc1ccccc1

InChI

InChI=1S/C18H17NO3/c1-12-17(18(21)22-2)15-10-14(20)8-9-16(15)19(12)11-13-6-4-3-5-7-13/h3-10,20H,11H2,1-2H3

InChI Key

BUKQZJZSLPYEOY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03488354

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

295.34

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.491

Distribution Coefficient, logD

3.489

Water Solubility, LogSw

-3.79

Polar Surface Area

40.230

Acid Dissociation Constant (pKa)

9.80

Base Dissociation Constant (pKb)

-3.72

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

5482-0041 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Anticancer Library (62698 compounds)

Antiviral Library (67538 compounds)

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Cancer
  • Antiviral
  • Infections
  • Immune system
Mechanism of action:
  • Epigenetic
Structure:
  • Pool

References: we are preparing a list of scientific research reports with 5482-0041 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5482-0041?
Check Price and Availability of 5482-0041, 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 5482-0041 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5482-0041
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5482-0041
  • 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 5482-0041 available by request