M513-2312 Screening compound: N~4~-[(5-methyl-2-furyl)methyl]-1-[2-(1-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]-4-piperidinecarboxamide

M513-2312 Screening compound: N~4~-[(5-methyl-2-furyl)methyl]-1-[2-(1-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]-4-piperidinecarboxamide
M513-2312 Screening compound: N~4~-[(5-methyl-2-furyl)methyl]-1-[2-(1-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]-4-piperidinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M513-2312
N~4~-[(5-methyl-2-furyl)methyl]-1-[2-(1-methyl-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

M513-2312

Molecular Formula

C22H28N4O2 (C22 H28 N4 O2)

Compound Name

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

IUPAC name

n/a

SMILES

Cc1ccc(CNC(C2CCN(CCc3cn(C)c4c3cccn4)CC2)=O)o1

InChI

InChI=1S/C22H28N4O2/c1-16-5-6-19(28-16)14-24-22(27)17-7-11-26(12-8-17)13-9-18-15-25(2)21-20(18)4-3-10-23-21/h3-6,10,15,17H,7-9,11-14H2,1-2H3,(H,24,27)

InChI Key

XAULFKDXSSRFBL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27546191

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

380.49

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.143

Distribution Coefficient, logD

-1.260

Water Solubility, LogSw

-2.44

Polar Surface Area

48.092

Acid Dissociation Constant (pKa)

12.38

Base Dissociation Constant (pKb)

10.80

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.50

M513-2312 in Drug Discovery

Included in Screening Libraries

Hsp90-Targeted Library (11355 compounds)

Macl-GPIb alpha Interaction Library (22969 compounds)

Nonpeptide Peptidomimetics PPI Library (18997 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 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
  • Hemic and lymphatic
  • Cardiovascular
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with M513-2312 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M513-2312?
Check Price and Availability of M513-2312, 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 M513-2312 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M513-2312
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M513-2312
  • 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 M513-2312 available by request