3676-0001 Screening compound: 1-[5-hydroxy-1-(2-hydroxyethyl)-2-methyl-1H-indol-3-yl]ethan-1-one

3676-0001 Screening compound: 1-[5-hydroxy-1-(2-hydroxyethyl)-2-methyl-1H-indol-3-yl]ethan-1-one
3676-0001 Screening compound: 1-[5-hydroxy-1-(2-hydroxyethyl)-2-methyl-1H-indol-3-yl]ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 3676-0001
1-[5-hydroxy-1-(2-hydroxyethyl)-2-methyl-1H-indol-3-yl]ethan-1-one

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

3676-0001

Molecular Formula

C13H15NO3 (C13 H15 NO3)

Compound Name

1-[5-hydroxy-1-(2-hydroxyethyl)-2-methyl-1H-indol-3-yl]ethan-1-one

IUPAC name

1-[5-hydroxy-1-(2-hydroxyethyl)-2-methyl-1H-indol-3-yl]ethan-1-one

SMILES

CC(c1c(C)n(CCO)c(cc2)c1cc2O)=O

InChI

InChI=1S/C13H15NO3/c1-8-13(9(2)16)11-7-10(17)3-4-12(11)14(8)5-6-15/h3-4,7,15,17H,5-6H2,1-2H3

InChI Key

GREBWDHJEBOBJM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02918053

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

233.27

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.255

Distribution Coefficient, logD

1.252

Water Solubility, LogSw

-1.67

Polar Surface Area

49.788

Acid Dissociation Constant (pKa)

9.61

Base Dissociation Constant (pKb)

-2.50

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.80

3676-0001 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

Human Transcription Factors Annotated Library (5098 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 3676-0001 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3676-0001?
Check Price and Availability of 3676-0001, 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 3676-0001 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3676-0001
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3676-0001
  • 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 3676-0001 available by request