M513-2112 Screening compound: N~4~-(1,3-benzodioxol-5-ylmethyl)-1-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]-4-piperidinecarboxamide

M513-2112 Screening compound: N~4~-(1,3-benzodioxol-5-ylmethyl)-1-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]-4-piperidinecarboxamide
M513-2112 Screening compound: N~4~-(1,3-benzodioxol-5-ylmethyl)-1-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]-4-piperidinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M513-2112
N~4~-(1,3-benzodioxol-5-ylmethyl)-1-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]-4-piperidinecarboxamide

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

M513-2112

Molecular Formula

C23H26N4O3 (C23 H26 N4 O3)

Compound Name

N~4~-(1,3-benzodioxol-5-ylmethyl)-1-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]-4-piperidinecarboxamide

IUPAC name

n/a

SMILES

O=C(C1CCN(CCc2c[nH]c3c2cccn3)CC1)NCc(cc1)cc2c1OCO2

InChI

InChI=1S/C23H26N4O3/c28-23(26-13-16-3-4-20-21(12-16)30-15-29-20)17-5-9-27(10-6-17)11-7-18-14-25-22-19(18)2-1-8-24-22/h1-4,8,12,14,17H,5-7,9-11,13,15H2,(H,24,25)(H,26,28)

InChI Key

RDPJNKBYMCXYAP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27546156

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

406.48

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.097

Distribution Coefficient, logD

-0.589

Water Solubility, LogSw

-2.88

Polar Surface Area

65.723

Acid Dissociation Constant (pKa)

14.07

Base Dissociation Constant (pKb)

10.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

39.10

M513-2112 in Drug Discovery

Included in Screening Libraries

Hsp90-Targeted Library (11355 compounds)

Nonpeptide Peptidomimetics PPI Library (18997 compounds)

Protein-Protein Interaction Library (218420 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with M513-2112 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M513-2112?
Check Price and Availability of M513-2112, 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 M513-2112 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M513-2112
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M513-2112
  • 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 M513-2112 available by request