K786-3976 Screening compound: N-[(3-methoxyphenyl)methyl]-3-{1-[(4-methylphenyl)methyl]-1H-indol-3-yl}propanamide

K786-3976 Screening compound: N-[(3-methoxyphenyl)methyl]-3-{1-[(4-methylphenyl)methyl]-1H-indol-3-yl}propanamide
K786-3976 Screening compound: N-[(3-methoxyphenyl)methyl]-3-{1-[(4-methylphenyl)methyl]-1H-indol-3-yl}propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K786-3976
N-[(3-methoxyphenyl)methyl]-3-{1-[(4-methylphenyl)methyl]-1H-indol-3-yl}propanamide

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

K786-3976

Molecular Formula

C27H28N2O2 (C27 H28 N2 O2)

Compound Name

N-[(3-methoxyphenyl)methyl]-3-{1-[(4-methylphenyl)methyl]-1H-indol-3-yl}propanamide

IUPAC name

N-[(3-methoxyphenyl)methyl]-3-{1-[(4-methylphenyl)methyl]-1H-indol-3-yl}propanamide

SMILES

Cc1ccc(Cn2c(cccc3)c3c(CCC(NCc3cc(OC)ccc3)=O)c2)cc1

InChI

InChI=1S/C27H28N2O2/c1-20-10-12-21(13-11-20)18-29-19-23(25-8-3-4-9-26(25)29)14-15-27(30)28-17-22-6-5-7-24(16-22)31-2/h3-13,16,19H,14-15,17-18H2,1-2H3,(H,28,30)

InChI Key

PMHRKJUQBWUCKT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03831902

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

412.53

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.248

Distribution Coefficient, logD

5.248

Water Solubility, LogSw

-5.14

Polar Surface Area

33.714

Acid Dissociation Constant (pKa)

13.10

Base Dissociation Constant (pKb)

-0.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

K786-3976 in Drug Discovery

Included in Screening Libraries

Cyclic Ugi PPI Library (9586 compounds)

Protein-Protein Interaction Library (218420 compounds)

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

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with K786-3976 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K786-3976?
Check Price and Availability of K786-3976, 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 K786-3976 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K786-3976
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K786-3976
  • 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 K786-3976 available by request