8012-7465 Screening compound: N-(2,6-dimethylphenyl)-2-{N-[2-(1H-indol-3-yl)ethyl]-1-(pyridin-2-yl)formamido}-2-methylbutanamide

8012-7465 Screening compound: N-(2,6-dimethylphenyl)-2-{N-[2-(1H-indol-3-yl)ethyl]-1-(pyridin-2-yl)formamido}-2-methylbutanamide
8012-7465 Screening compound: N-(2,6-dimethylphenyl)-2-{N-[2-(1H-indol-3-yl)ethyl]-1-(pyridin-2-yl)formamido}-2-methylbutanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-7465
N-(2,6-dimethylphenyl)-2-{N-[2-(1H-indol-3-yl)ethyl]-1-(pyridin-2-yl)formamido}-2-methylbutanamide

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

8012-7465

Molecular Formula

C29H32N4O2 (C29 H32 N4 O2)

Compound Name

N-(2,6-dimethylphenyl)-2-{N-[2-(1H-indol-3-yl)ethyl]-1-(pyridin-2-yl)formamido}-2-methylbutanamide

IUPAC name

N-(26-dimethylphenyl)-2-{N-[2-(1H-indol-3-yl)ethyl]-1-(pyridin-2-yl)formamido}-2-methylbutanamide

SMILES

CCC(C)(C(Nc1c(C)cccc1C)=O)N(CCc1c[nH]c2c1cccc2)C(c1ncccc1)=O

InChI

InChI=1S/C29H32N4O2/c1-5-29(4,28(35)32-26-20(2)11-10-12-21(26)3)33(27(34)25-15-8-9-17-30-25)18-16-22-19-31-24-14-7-6-13-23(22)24/h6-15,17,19,31H,5,16,18H2,1-4H3,(H,32,35)/t29-/m0/s1

InChI Key

KQXLXTDIZAXOGD-LJAQVGFWSA-N

MDL Number (MFCD)

MFCD03133878

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

468.6

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.807

Distribution Coefficient, logD

4.807

Water Solubility, LogSw

-4.58

Polar Surface Area

56.354

Acid Dissociation Constant (pKa)

11.58

Base Dissociation Constant (pKb)

-1.90

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.60

8012-7465 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

SH2 Library (10483 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cancer
  • Endocrine
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with 8012-7465 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-7465?
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What is the minimum amount of 8012-7465 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-7465
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-7465
  • 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 8012-7465 available by request