C190-0506 Screening compound: N-[2-(4-benzylpiperidin-1-yl)ethyl]-2,4-dioxo-3-(2-phenylethyl)-1,2,3,4-tetrahydroquinazoline-7-carboxamide

C190-0506 Screening compound: N-[2-(4-benzylpiperidin-1-yl)ethyl]-2,4-dioxo-3-(2-phenylethyl)-1,2,3,4-tetrahydroquinazoline-7-carboxamide
C190-0506 Screening compound: N-[2-(4-benzylpiperidin-1-yl)ethyl]-2,4-dioxo-3-(2-phenylethyl)-1,2,3,4-tetrahydroquinazoline-7-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C190-0506
N-[2-(4-benzylpiperidin-1-yl)ethyl]-2,4-dioxo-3-(2-phenylethyl)-1,2,3,4-tetrahydroquinazoline-7-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

C190-0506

Molecular Formula

C31H34N4O3 (C31 H34 N4 O3)

Compound Name

N-[2-(4-benzylpiperidin-1-yl)ethyl]-2,4-dioxo-3-(2-phenylethyl)-1,2,3,4-tetrahydroquinazoline-7-carboxamide

IUPAC name

N-[2-(4-benzylpiperidin-1-yl)ethyl]-24-dioxo-3-(2-phenylethyl)-1234-tetrahydroquinazoline-7-carboxamide

SMILES

O=C(c(cc1)cc(NC(N2CCc3ccccc3)=O)c1C2=O)NCCN1CCC(Cc2ccccc2)CC1

InChI

InChI=1S/C31H34N4O3/c36-29(32-16-20-34-17-13-25(14-18-34)21-24-9-5-2-6-10-24)26-11-12-27-28(22-26)33-31(38)35(30(27)37)19-15-23-7-3-1-4-8-23/h1-12,22,25H,13-21H2,(H,32,36)(H,33,38)

InChI Key

NRLKWEWWXCYTAJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14724920

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

510.64

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.019

Distribution Coefficient, logD

4.481

Water Solubility, LogSw

-4.88

Polar Surface Area

68.424

Acid Dissociation Constant (pKa)

9.28

Base Dissociation Constant (pKb)

7.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

32.30

C190-0506 in Drug Discovery

Included in Screening Libraries

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

CNS Targets (44014 compounds)

GPCR Targeted Library (31838 compounds)

Voltage-Gated Ion Channel-Targeted Library (4740 compounds)

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with C190-0506 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C190-0506?
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What is the minimum amount of C190-0506 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C190-0506
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C190-0506
  • 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 C190-0506 available by request