M058-0149 Screening compound: N~2~-(3-chloro-4-fluorobenzyl)-5-ethyl-1-methyl-4-oxo-4,5-dihydro-1H-pyrrolo[3,2-c]pyridine-2-carboxamide

M058-0149 Screening compound: N~2~-(3-chloro-4-fluorobenzyl)-5-ethyl-1-methyl-4-oxo-4,5-dihydro-1H-pyrrolo[3,2-c]pyridine-2-carboxamide
M058-0149 Screening compound: N~2~-(3-chloro-4-fluorobenzyl)-5-ethyl-1-methyl-4-oxo-4,5-dihydro-1H-pyrrolo[3,2-c]pyridine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M058-0149
N~2~-(3-chloro-4-fluorobenzyl)-5-ethyl-1-methyl-4-oxo-4,5-dihydro-1H-pyrrolo[3,2-c]pyridine-2-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

M058-0149

Molecular Formula

C18H17ClFN3O2 (C18 H17 ClFN3 O2)

Compound Name

N~2~-(3-chloro-4-fluorobenzyl)-5-ethyl-1-methyl-4-oxo-4,5-dihydro-1H-pyrrolo[3,2-c]pyridine-2-carboxamide

IUPAC name

n/a

SMILES

CCN(C=Cc1c2cc(C(NCc(cc3)cc(Cl)c3F)=O)n1C)C2=O

InChI

InChI=1S/C18H17ClFN3O2/c1-3-23-7-6-15-12(18(23)25)9-16(22(15)2)17(24)21-10-11-4-5-14(20)13(19)8-11/h4-9H,3,10H2,1-2H3,(H,21,24)

InChI Key

DNFXZUUZRILJJR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27494662

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

361.8

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.658

Distribution Coefficient, logD

2.658

Water Solubility, LogSw

-3.59

Polar Surface Area

42.108

Acid Dissociation Constant (pKa)

10.32

Base Dissociation Constant (pKb)

-3.05

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.22

References: we are preparing a list of scientific research reports with M058-0149 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M058-0149?
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What is the minimum amount of M058-0149 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M058-0149
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M058-0149
  • 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 M058-0149 available by request