M047-0910 Screening compound: N-[(3,4-diethoxyphenyl)methyl]-2-{1,3-dimethyl-7-oxo-1H,6H,7H-pyrazolo[3,4-c]pyridin-6-yl}acetamide

M047-0910 Screening compound: N-[(3,4-diethoxyphenyl)methyl]-2-{1,3-dimethyl-7-oxo-1H,6H,7H-pyrazolo[3,4-c]pyridin-6-yl}acetamide
M047-0910 Screening compound: N-[(3,4-diethoxyphenyl)methyl]-2-{1,3-dimethyl-7-oxo-1H,6H,7H-pyrazolo[3,4-c]pyridin-6-yl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M047-0910
N-[(3,4-diethoxyphenyl)methyl]-2-{1,3-dimethyl-7-oxo-1H,6H,7H-pyrazolo[3,4-c]pyridin-6-yl}acetamide

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

M047-0910

Molecular Formula

C21H26N4O4 (C21 H26 N4 O4)

Compound Name

N-[(3,4-diethoxyphenyl)methyl]-2-{1,3-dimethyl-7-oxo-1H,6H,7H-pyrazolo[3,4-c]pyridin-6-yl}acetamide

IUPAC name

N-[(34-diethoxyphenyl)methyl]-2-{13-dimethyl-7-oxo-1H6H7H-pyrazolo[34-c]pyridin-6-yl}acetamide

SMILES

CCOc(ccc(CNC(CN(C=Cc1c2n(C)nc1C)C2=O)=O)c1)c1OCC

InChI

InChI=1S/C21H26N4O4/c1-5-28-17-8-7-15(11-18(17)29-6-2)12-22-19(26)13-25-10-9-16-14(3)23-24(4)20(16)21(25)27/h7-11H,5-6,12-13H2,1-4H3,(H,22,26)

InChI Key

BBMPOPOMWGRWPL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15139540

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

398.46

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.498

Distribution Coefficient, logD

0.498

Water Solubility, LogSw

-2.06

Polar Surface Area

69.054

Acid Dissociation Constant (pKa)

14.91

Base Dissociation Constant (pKb)

-0.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.10

M047-0910 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with M047-0910 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M047-0910?
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What is the minimum amount of M047-0910 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M047-0910
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M047-0910
  • 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 M047-0910 available by request