G700-0402 Screening compound: N~3~-(1-benzyl-4-piperidyl)-4-ethyl-7-(4-methoxybenzyl)-9-oxo-4,5,6,7,8,9-hexahydropyrazolo[1,5-a]pyrido[4,3-d]pyrimidine-3-carboxamide

G700-0402 Screening compound: N~3~-(1-benzyl-4-piperidyl)-4-ethyl-7-(4-methoxybenzyl)-9-oxo-4,5,6,7,8,9-hexahydropyrazolo[1,5-a]pyrido[4,3-d]pyrimidine-3-carboxamide
G700-0402 Screening compound: N~3~-(1-benzyl-4-piperidyl)-4-ethyl-7-(4-methoxybenzyl)-9-oxo-4,5,6,7,8,9-hexahydropyrazolo[1,5-a]pyrido[4,3-d]pyrimidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G700-0402
N~3~-(1-benzyl-4-piperidyl)-4-ethyl-7-(4-methoxybenzyl)-9-oxo-4,5,6,7,8,9-hexahydropyrazolo[1,5-a]pyrido[4,3-d]pyrimidine-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

G700-0402

Molecular Formula

C32H38N6O3 (C32 H38 N6 O3)

Compound Name

N~3~-(1-benzyl-4-piperidyl)-4-ethyl-7-(4-methoxybenzyl)-9-oxo-4,5,6,7,8,9-hexahydropyrazolo[1,5-a]pyrido[4,3-d]pyrimidine-3-carboxamide

IUPAC name

N-(1-benzylpiperidin-4-yl)-2-ethyl-11-[(4-methoxyphenyl)methyl]-8-oxo-26711-tetraazatricyclo[7.4.0.0^{37}]trideca-1(9)35-triene-4-carboxamide

SMILES

CCN(c(n1nc2)c2C(NC2CCN(Cc3ccccc3)CC2)=O)C(CCN(Cc(cc2)ccc2OC)C2)=C2C1=O

InChI

InChI=1S/C32H38N6O3/c1-3-37-29-15-18-36(21-24-9-11-26(41-2)12-10-24)22-28(29)32(40)38-31(37)27(19-33-38)30(39)34-25-13-16-35(17-14-25)20-23-7-5-4-6-8-23/h4-12,19,25H,3,13-18,20-22H2,1-2H3,(H,34,39)

InChI Key

XSLFLGZBHBCMRR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27151765

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

554.69

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.880

Distribution Coefficient, logD

2.435

Water Solubility, LogSw

-3.82

Polar Surface Area

67.365

Acid Dissociation Constant (pKa)

14.76

Base Dissociation Constant (pKb)

8.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.60

G700-0402 in Drug Discovery

Included in Screening Libraries

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

GPCR Targeted Library (31838 compounds)

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Antiviral
  • Infections
  • Immune system
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with G700-0402 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G700-0402?
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What is the minimum amount of G700-0402 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G700-0402
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G700-0402
  • 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 G700-0402 available by request