6225-0868 Screening compound: 3-hydroxy-1-(3-phenylpropyl)-2,3-dihydro-1H,1'H-[3,3'-biindol]-2-one

6225-0868 Screening compound: 3-hydroxy-1-(3-phenylpropyl)-2,3-dihydro-1H,1'H-[3,3'-biindol]-2-one
6225-0868 Screening compound: 3-hydroxy-1-(3-phenylpropyl)-2,3-dihydro-1H,1'H-[3,3'-biindol]-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 6225-0868
3-hydroxy-1-(3-phenylpropyl)-2,3-dihydro-1H,1'H-[3,3'-biindol]-2-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

6225-0868

Molecular Formula

C25H22N2O2 (C25 H22 N2 O2)

Compound Name

3-hydroxy-1-(3-phenylpropyl)-2,3-dihydro-1H,1'H-[3,3'-biindol]-2-one

IUPAC name

3-hydroxy-1-(3-phenylpropyl)-23-dihydro-1H1'H-[33'-biindol]-2-one

SMILES

OC(c1c[nH]c2c1cccc2)(c(cccc1)c1N1CCCc2ccccc2)C1=O

InChI

InChI=1S/C25H22N2O2/c28-24-25(29,21-17-26-22-14-6-4-12-19(21)22)20-13-5-7-15-23(20)27(24)16-8-11-18-9-2-1-3-10-18/h1-7,9-10,12-15,17,26,29H,8,11,16H2/t25-/m1/s1

InChI Key

IWNFAZVWBUQJPN-RUZDIDTESA-N

MDL Number (MFCD)

MFCD02915811

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

382.46

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.988

Distribution Coefficient, logD

4.988

Water Solubility, LogSw

-4.60

Polar Surface Area

40.178

Acid Dissociation Constant (pKa)

13.80

Base Dissociation Constant (pKb)

-0.28

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

16.00

6225-0868 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Antiviral Library (67538 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with 6225-0868 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6225-0868?
Check Price and Availability of 6225-0868, 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 6225-0868 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6225-0868
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6225-0868
  • 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 6225-0868 available by request