5132-1101 Screening compound: 3-acetyl-1-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-1H-indol-5-yl furan-2-carboxylate

5132-1101 Screening compound: 3-acetyl-1-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-1H-indol-5-yl furan-2-carboxylate
5132-1101 Screening compound: 3-acetyl-1-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-1H-indol-5-yl furan-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5132-1101
3-acetyl-1-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-1H-indol-5-yl furan-2-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

5132-1101

Molecular Formula

C26H25NO6 (C26 H25 NO6)

Compound Name

3-acetyl-1-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-1H-indol-5-yl furan-2-carboxylate

IUPAC name

3-acetyl-1-[2-(34-dimethoxyphenyl)ethyl]-2-methyl-1H-indol-5-yl furan-2-carboxylate

SMILES

CC(c1c(C)n(CCc(cc2)cc(OC)c2OC)c(cc2)c1cc2OC(c1ccco1)=O)=O

InChI

InChI=1S/C26H25NO6/c1-16-25(17(2)28)20-15-19(33-26(29)23-6-5-13-32-23)8-9-21(20)27(16)12-11-18-7-10-22(30-3)24(14-18)31-4/h5-10,13-15H,11-12H2,1-4H3

InChI Key

FIQXWJKFHPGRSD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01238949

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

447.49

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.911

Distribution Coefficient, logD

3.911

Water Solubility, LogSw

-4.35

Polar Surface Area

59.461

Acid Dissociation Constant (pKa)

21.32

Base Dissociation Constant (pKb)

-2.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

5132-1101 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anti-Inflammatory Library (24602 compounds)

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

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with 5132-1101 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5132-1101?
Check Price and Availability of 5132-1101, 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 5132-1101 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5132-1101
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5132-1101
  • 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 5132-1101 available by request