C700-2731 Screening compound: 1-{4-benzyl-3-oxo-3H,4H-pyrido[2,3-b]pyrazin-2-yl}-N-[2-(3-methoxyphenyl)ethyl]piperidine-3-carboxamide

C700-2731 Screening compound: 1-{4-benzyl-3-oxo-3H,4H-pyrido[2,3-b]pyrazin-2-yl}-N-[2-(3-methoxyphenyl)ethyl]piperidine-3-carboxamide
C700-2731 Screening compound: 1-{4-benzyl-3-oxo-3H,4H-pyrido[2,3-b]pyrazin-2-yl}-N-[2-(3-methoxyphenyl)ethyl]piperidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C700-2731
1-{4-benzyl-3-oxo-3H,4H-pyrido[2,3-b]pyrazin-2-yl}-N-[2-(3-methoxyphenyl)ethyl]piperidine-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

C700-2731

Molecular Formula

C29H31N5O3 (C29 H31 N5 O3)

Compound Name

1-{4-benzyl-3-oxo-3H,4H-pyrido[2,3-b]pyrazin-2-yl}-N-[2-(3-methoxyphenyl)ethyl]piperidine-3-carboxamide

IUPAC name

1-{4-benzyl-3-oxo-3H4H-pyrido[23-b]pyrazin-2-yl}-N-[2-(3-methoxyphenyl)ethyl]piperidine-3-carboxamide

SMILES

COc1cccc(CCNC(C(CCC2)CN2C2=Nc3cccnc3N(Cc3ccccc3)C2=O)=O)c1

InChI

InChI=1S/C29H31N5O3/c1-37-24-12-5-10-21(18-24)14-16-31-28(35)23-11-7-17-33(20-23)27-29(36)34(19-22-8-3-2-4-9-22)26-25(32-27)13-6-15-30-26/h2-6,8-10,12-13,15,18,23H,7,11,14,16-17,19-20H2,1H3,(H,31,35)/t23-/m0/s1

InChI Key

VQJBGWLUHURSIK-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD14786131

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

497.6

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

3.211

Distribution Coefficient, logD

3.211

Water Solubility, LogSw

-3.44

Polar Surface Area

68.283

Acid Dissociation Constant (pKa)

13.86

Base Dissociation Constant (pKb)

3.04

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.00

C700-2731 in Drug Discovery

Included in Screening Libraries

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

GPCR Targeted Library (31838 compounds)

MCL1 Targeted Library (12200 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • GPCR
  • Kinases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C700-2731 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C700-2731?
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What is the minimum amount of C700-2731 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C700-2731
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C700-2731
  • 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 C700-2731 available by request