M513-2228 Screening compound: N-[(4-chlorophenyl)methyl]-1-(2-{1-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl}ethyl)piperidine-4-carboxamide

M513-2228 Screening compound: N-[(4-chlorophenyl)methyl]-1-(2-{1-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl}ethyl)piperidine-4-carboxamide
M513-2228 Screening compound: N-[(4-chlorophenyl)methyl]-1-(2-{1-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl}ethyl)piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M513-2228
N-[(4-chlorophenyl)methyl]-1-(2-{1-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl}ethyl)piperidine-4-carboxamide

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

M513-2228

Molecular Formula

C23H27ClN4O (C23 H27 ClN4 O)

Compound Name

N-[(4-chlorophenyl)methyl]-1-(2-{1-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl}ethyl)piperidine-4-carboxamide

IUPAC name

N-[(4-chlorophenyl)methyl]-1-(2-{1-methyl-1H-pyrrolo[23-b]pyridin-3-yl}ethyl)piperidine-4-carboxamide

SMILES

Cn1c(nccc2)c2c(CCN(CC2)CCC2C(NCc(cc2)ccc2Cl)=O)c1

InChI

InChI=1S/C23H27ClN4O/c1-27-16-19(21-3-2-11-25-22(21)27)10-14-28-12-8-18(9-13-28)23(29)26-15-17-4-6-20(24)7-5-17/h2-7,11,16,18H,8-10,12-15H2,1H3,(H,26,29)

InChI Key

IFKYVMXXXVZWTK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27546172

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

410.95

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.680

Distribution Coefficient, logD

-0.722

Water Solubility, LogSw

-3.40

Polar Surface Area

40.829

Acid Dissociation Constant (pKa)

12.14

Base Dissociation Constant (pKb)

10.80

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

39.10

M513-2228 in Drug Discovery

Included in Screening Libraries

CORONAVIRUS Library (20774 compounds)

Hsp90-Targeted Library (11355 compounds)

Macl-GPIb alpha Interaction Library (22969 compounds)

Nonpeptide Peptidomimetics PPI Library (18997 compounds)

PLpro Library (6343 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with M513-2228 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M513-2228?
Check Price and Availability of M513-2228, 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 M513-2228 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M513-2228
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M513-2228
  • 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 M513-2228 available by request