8179-0051 Screening compound: 3-hydroxy-2'-methyl-1-[2-(4-methylphenoxy)ethyl]-2,3-dihydro-1H,1'H-[3,3'-biindol]-2-one

8179-0051 Screening compound: 3-hydroxy-2'-methyl-1-[2-(4-methylphenoxy)ethyl]-2,3-dihydro-1H,1'H-[3,3'-biindol]-2-one
8179-0051 Screening compound: 3-hydroxy-2'-methyl-1-[2-(4-methylphenoxy)ethyl]-2,3-dihydro-1H,1'H-[3,3'-biindol]-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8179-0051
3-hydroxy-2'-methyl-1-[2-(4-methylphenoxy)ethyl]-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

8179-0051

Molecular Formula

C26H24N2O3 (C26 H24 N2 O3)

Compound Name

3-hydroxy-2'-methyl-1-[2-(4-methylphenoxy)ethyl]-2,3-dihydro-1H,1'H-[3,3'-biindol]-2-one

IUPAC name

3-hydroxy-2'-methyl-1-[2-(4-methylphenoxy)ethyl]-23-dihydro-1H1'H-[33'-biindol]-2-one

SMILES

Cc1c(C(c(cccc2)c2N2CCOc3ccc(C)cc3)(C2=O)O)c(cccc2)c2[nH]1

InChI

InChI=1S/C26H24N2O3/c1-17-11-13-19(14-12-17)31-16-15-28-23-10-6-4-8-21(23)26(30,25(28)29)24-18(2)27-22-9-5-3-7-20(22)24/h3-14,27,30H,15-16H2,1-2H3/t26-/m0/s1

InChI Key

GWKWYPIXUUZIPW-SANMLTNESA-N

MDL Number (MFCD)

MFCD06765288

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

412.49

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.883

Distribution Coefficient, logD

4.883

Water Solubility, LogSw

-4.51

Polar Surface Area

47.651

Acid Dissociation Constant (pKa)

13.80

Base Dissociation Constant (pKb)

-0.33

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

19.20

8179-0051 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Antiviral Library (67538 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Antiviral
  • Infections
  • Immune system
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with 8179-0051 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8179-0051?
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What is the minimum amount of 8179-0051 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8179-0051
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8179-0051
  • 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 8179-0051 available by request