M425-1241 Screening compound: 1-[2-(cyclopentylamino)-2-oxoethyl]-N-(2,4-difluorobenzyl)-6-oxo-1,6-dihydro-2-pyridinecarboxamide

M425-1241 Screening compound: 1-[2-(cyclopentylamino)-2-oxoethyl]-N-(2,4-difluorobenzyl)-6-oxo-1,6-dihydro-2-pyridinecarboxamide
M425-1241 Screening compound: 1-[2-(cyclopentylamino)-2-oxoethyl]-N-(2,4-difluorobenzyl)-6-oxo-1,6-dihydro-2-pyridinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M425-1241
1-[2-(cyclopentylamino)-2-oxoethyl]-N-(2,4-difluorobenzyl)-6-oxo-1,6-dihydro-2-pyridinecarboxamide

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

M425-1241

Molecular Formula

C20H21F2N3O3 (C20 H21 F2 N3 O3)

Compound Name

1-[2-(cyclopentylamino)-2-oxoethyl]-N-(2,4-difluorobenzyl)-6-oxo-1,6-dihydro-2-pyridinecarboxamide

IUPAC name

1-[(cyclopentylcarbamoyl)methyl]-N-[(24-difluorophenyl)methyl]-6-oxo-16-dihydropyridine-2-carboxamide

SMILES

O=C(CN1C(C(NCc(ccc(F)c2)c2F)=O)=CC=CC1=O)NC1CCCC1

InChI

InChI=1S/C20H21F2N3O3/c21-14-9-8-13(16(22)10-14)11-23-20(28)17-6-3-7-19(27)25(17)12-18(26)24-15-4-1-2-5-15/h3,6-10,15H,1-2,4-5,11-12H2,(H,23,28)(H,24,26)

InChI Key

NVYIAHXANIPYBA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27541034

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

389.4

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.218

Distribution Coefficient, logD

2.042

Water Solubility, LogSw

-2.77

Polar Surface Area

65.090

Acid Dissociation Constant (pKa)

7.70

Base Dissociation Constant (pKb)

3.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.00

M425-1241 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 M425-1241 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M425-1241?
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What is the minimum amount of M425-1241 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M425-1241
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M425-1241
  • 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 M425-1241 available by request