M511-0319 Screening compound: N-(2-{1-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl}ethyl)adamantane-1-carboxamide

M511-0319 Screening compound: N-(2-{1-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl}ethyl)adamantane-1-carboxamide
M511-0319 Screening compound: N-(2-{1-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl}ethyl)adamantane-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M511-0319
N-(2-{1-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl}ethyl)adamantane-1-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

M511-0319

Molecular Formula

C21H27N3O (C21 H27 N3 O)

Compound Name

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

IUPAC name

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

SMILES

Cn1c(nccc2)c2c(CCNC(C2(CC(C3)C4)CC4CC3C2)=O)c1

InChI

InChI=1S/C21H27N3O/c1-24-13-17(18-3-2-5-22-19(18)24)4-6-23-20(25)21-10-14-7-15(11-21)9-16(8-14)12-21/h2-3,5,13-16H,4,6-12H2,1H3,(H,23,25)

InChI Key

QMSKNIUKAWWZSO-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

337.46

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.657

Distribution Coefficient, logD

3.648

Water Solubility, LogSw

-3.78

Polar Surface Area

36.993

Acid Dissociation Constant (pKa)

13.49

Base Dissociation Constant (pKb)

5.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

61.90

M511-0319 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Hsp90-Targeted Library (11355 compounds)

Epigenetics Focused Set (26518 compounds)

Ion Channels Focused Library (26372 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Immune system
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels
Agro:
  • Agro

References: we are preparing a list of scientific research reports with M511-0319 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M511-0319?
Check Price and Availability of M511-0319, 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 M511-0319 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M511-0319
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M511-0319
  • 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 M511-0319 available by request