M513-2101 Screening compound: [4-(2-METHYLPHENYL)PIPERAZINO]{1-[2-(1H-PYRROLO[2,3-B]PYRIDIN-3-YL)ETHYL]-4-PIPERIDYL}METHANONE

M513-2101 Screening compound: [4-(2-METHYLPHENYL)PIPERAZINO]{1-[2-(1H-PYRROLO[2,3-B]PYRIDIN-3-YL)ETHYL]-4-PIPERIDYL}METHANONE
M513-2101 Screening compound: [4-(2-METHYLPHENYL)PIPERAZINO]{1-[2-(1H-PYRROLO[2,3-B]PYRIDIN-3-YL)ETHYL]-4-PIPERIDYL}METHANONE alternative view

Chemical Structure Depiction of ChemDiv screening compound M513-2101
[4-(2-METHYLPHENYL)PIPERAZINO]{1-[2-(1H-PYRROLO[2,3-B]PYRIDIN-3-YL)ETHYL]-4-PIPERIDYL}METHANONE

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

M513-2101

Molecular Formula

C26H33N5O (C26 H33 N5 O)

Compound Name

[4-(2-METHYLPHENYL)PIPERAZINO]{1-[2-(1H-PYRROLO[2,3-B]PYRIDIN-3-YL)ETHYL]-4-PIPERIDYL}METHANONE

IUPAC name

n/a

SMILES

Cc(cccc1)c1N(CC1)CCN1C(C1CCN(CCc2c[nH]c3c2cccn3)CC1)=O

InChI

InChI=1S/C26H33N5O/c1-20-5-2-3-7-24(20)30-15-17-31(18-16-30)26(32)21-8-12-29(13-9-21)14-10-22-19-28-25-23(22)6-4-11-27-25/h2-7,11,19,21H,8-10,12-18H2,1H3,(H,27,28)

InChI Key

HFJADNLPIYGBCF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27546154

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

431.58

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.355

Distribution Coefficient, logD

0.493

Water Solubility, LogSw

-3.21

Polar Surface Area

43.802

Acid Dissociation Constant (pKa)

17.18

Base Dissociation Constant (pKb)

10.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

46.20

M513-2101 in Drug Discovery

Included in Screening Libraries

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

Hsp90-Targeted Library (11355 compounds)

Macl-GPIb alpha Interaction Library (22969 compounds)

Nonpeptide Peptidomimetics PPI Library (18997 compounds)

Protein-Protein Interaction Library (218420 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Mimetics
Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Immune system
  • Hemic and lymphatic
  • Cardiovascular
Mechanism of action:
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with M513-2101 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M513-2101?
Check Price and Availability of M513-2101, 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 M513-2101 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M513-2101
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M513-2101
  • 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 M513-2101 available by request