4094-0167 Screening compound: 3-{1-[(4-methylphenyl)methyl]-1H-indol-3-yl}benzo[f]quinoline-1-carboxylic acid

4094-0167 Screening compound: 3-{1-[(4-methylphenyl)methyl]-1H-indol-3-yl}benzo[f]quinoline-1-carboxylic acid
4094-0167 Screening compound: 3-{1-[(4-methylphenyl)methyl]-1H-indol-3-yl}benzo[f]quinoline-1-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 4094-0167
3-{1-[(4-methylphenyl)methyl]-1H-indol-3-yl}benzo[f]quinoline-1-carboxylic acid

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

4094-0167

Molecular Formula

C30H22N2O2 (C30 H22 N2 O2)

Compound Name

3-{1-[(4-methylphenyl)methyl]-1H-indol-3-yl}benzo[f]quinoline-1-carboxylic acid

IUPAC name

3-{1-[(4-methylphenyl)methyl]-1H-indol-3-yl}benzo[f]quinoline-1-carboxylic acid

SMILES

Cc1ccc(Cn2c(cccc3)c3c(-c3nc4ccc(cccc5)c5c4c(C(O)=O)c3)c2)cc1

InChI

InChI=1S/C30H22N2O2/c1-19-10-12-20(13-11-19)17-32-18-25(23-8-4-5-9-28(23)32)27-16-24(30(33)34)29-22-7-3-2-6-21(22)14-15-26(29)31-27/h2-16,18H,17H2,1H3,(H,33,34)

InChI Key

NLIWJHULATYYIO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03014266

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

442.52

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

7.487

Distribution Coefficient, logD

2.431

Water Solubility, LogSw

-6.69

Polar Surface Area

38.166

Acid Dissociation Constant (pKa)

2.94

Base Dissociation Constant (pKb)

6.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.70

4094-0167 in Drug Discovery

Included in Screening Libraries

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

CORONAVIRUS Library (20774 compounds)

PLpro Library (6343 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 4094-0167 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4094-0167?
Check Price and Availability of 4094-0167, 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 4094-0167 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4094-0167
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4094-0167
  • 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 4094-0167 available by request