7850-0059 Screening compound: 4-{[(1-benzyl-1H-indol-3-yl)methyl]amino}benzoic acid

7850-0059 Screening compound: 4-{[(1-benzyl-1H-indol-3-yl)methyl]amino}benzoic acid
7850-0059 Screening compound: 4-{[(1-benzyl-1H-indol-3-yl)methyl]amino}benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 7850-0059
4-{[(1-benzyl-1H-indol-3-yl)methyl]amino}benzoic 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

7850-0059

Molecular Formula

C23H20N2O2 (C23 H20 N2 O2)

Compound Name

4-{[(1-benzyl-1H-indol-3-yl)methyl]amino}benzoic acid

IUPAC name

4-{[(1-benzyl-1H-indol-3-yl)methyl]amino}benzoic acid

SMILES

OC(c(cc1)ccc1NCc1cn(Cc2ccccc2)c2c1cccc2)=O

InChI

InChI=1S/C23H20N2O2/c26-23(27)18-10-12-20(13-11-18)24-14-19-16-25(15-17-6-2-1-3-7-17)22-9-5-4-8-21(19)22/h1-13,16,24H,14-15H2,(H,26,27)

InChI Key

LSIUJNZHJVUWGL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06197338

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

356.42

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.021

Distribution Coefficient, logD

2.625

Water Solubility, LogSw

-4.68

Polar Surface Area

40.613

Acid Dissociation Constant (pKa)

5.01

Base Dissociation Constant (pKb)

3.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.70

7850-0059 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Anticancer Library (62698 compounds)

Antiviral Library (67538 compounds)

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

RAR (Nuclear receptors) Ligands Library (6524 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Respiratory tract
  • Eye
  • Male
  • Female
  • Hemic and lymphatic
  • Congenital
  • Skin
  • Endocrine
  • Immune system
Targets:
  • Nuclear receptors
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 7850-0059 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7850-0059?
Check Price and Availability of 7850-0059, 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 7850-0059 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7850-0059
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7850-0059
  • 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 7850-0059 available by request