P168-0349 Screening compound: N-[(2-chloro-4-fluorophenyl)methyl]-1-methyl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide

P168-0349 Screening compound: N-[(2-chloro-4-fluorophenyl)methyl]-1-methyl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
P168-0349 Screening compound: N-[(2-chloro-4-fluorophenyl)methyl]-1-methyl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P168-0349
N-[(2-chloro-4-fluorophenyl)methyl]-1-methyl-1H-pyrrolo[2,3-b]pyridine-3-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

P168-0349

Molecular Formula

C16H13ClFN3O (C16 H13 ClFN3 O)

Compound Name

N-[(2-chloro-4-fluorophenyl)methyl]-1-methyl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide

IUPAC name

N-[(2-chloro-4-fluorophenyl)methyl]-1-methyl-1H-pyrrolo[23-b]pyridine-3-carboxamide

SMILES

Cn1c(nccc2)c2c(C(NCc(ccc(F)c2)c2Cl)=O)c1

InChI

InChI=1S/C16H13ClFN3O/c1-21-9-13(12-3-2-6-19-15(12)21)16(22)20-8-10-4-5-11(18)7-14(10)17/h2-7,9H,8H2,1H3,(H,20,22)

InChI Key

HPQBLITVFCTPCL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29020634

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

317.75

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.215

Distribution Coefficient, logD

3.215

Water Solubility, LogSw

-3.57

Polar Surface Area

37.118

Acid Dissociation Constant (pKa)

13.06

Base Dissociation Constant (pKb)

1.56

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

P168-0349 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

Anti-Aging Library (44940 compounds)

Anti-Inflammatory Library (24602 compounds)

Anticancer Library (62698 compounds)

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

Protein Kinases Inhibitors Library (36801 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Immune system
  • Cancer
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Mechanism of action:
  • Epigenetic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with P168-0349 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P168-0349?
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What is the minimum amount of P168-0349 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P168-0349
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P168-0349
  • 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 P168-0349 available by request