6873-0554 Screening compound: {1-[(4-methylphenyl)methyl]-1H-indol-3-yl}methanol

6873-0554 Screening compound: {1-[(4-methylphenyl)methyl]-1H-indol-3-yl}methanol
6873-0554 Screening compound: {1-[(4-methylphenyl)methyl]-1H-indol-3-yl}methanol alternative view

Chemical Structure Depiction of ChemDiv screening compound 6873-0554
{1-[(4-methylphenyl)methyl]-1H-indol-3-yl}methanol

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

6873-0554

Molecular Formula

C17H17NO (C17 H17 NO)

Compound Name

{1-[(4-methylphenyl)methyl]-1H-indol-3-yl}methanol

IUPAC name

{1-[(4-methylphenyl)methyl]-1H-indol-3-yl}methanol

SMILES

Cc1ccc(Cn2c(cccc3)c3c(CO)c2)cc1

InChI

InChI=1S/C17H17NO/c1-13-6-8-14(9-7-13)10-18-11-15(12-19)16-4-2-3-5-17(16)18/h2-9,11,19H,10,12H2,1H3

InChI Key

ZRWCGJOQBCKMTO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04089279

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

251.33

Hydrogen Bond Acceptors Count

1.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

3.335

Distribution Coefficient, logD

3.335

Water Solubility, LogSw

-2.95

Polar Surface Area

19.086

Acid Dissociation Constant (pKa)

14.67

Base Dissociation Constant (pKb)

-3.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.60

6873-0554 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

BRD4 Targeted Library (4534 compounds)

Cardiovascular Library (22201 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Hemic and lymphatic
  • Cardiovascular
  • Metabolic
  • Cardiovascular
Targets:
  • Others
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 6873-0554 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6873-0554?
Check Price and Availability of 6873-0554, 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 6873-0554 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6873-0554
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6873-0554
  • 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 6873-0554 available by request