C190-0242 Screening compound: 7-(4-benzylpiperidine-1-carbonyl)-3-[(4-methoxyphenyl)methyl]-1,2,3,4-tetrahydroquinazoline-2,4-dione

C190-0242 Screening compound: 7-(4-benzylpiperidine-1-carbonyl)-3-[(4-methoxyphenyl)methyl]-1,2,3,4-tetrahydroquinazoline-2,4-dione
C190-0242 Screening compound: 7-(4-benzylpiperidine-1-carbonyl)-3-[(4-methoxyphenyl)methyl]-1,2,3,4-tetrahydroquinazoline-2,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound C190-0242
7-(4-benzylpiperidine-1-carbonyl)-3-[(4-methoxyphenyl)methyl]-1,2,3,4-tetrahydroquinazoline-2,4-dione

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

C190-0242

Molecular Formula

C29H29N3O4 (C29 H29 N3 O4)

Compound Name

7-(4-benzylpiperidine-1-carbonyl)-3-[(4-methoxyphenyl)methyl]-1,2,3,4-tetrahydroquinazoline-2,4-dione

IUPAC name

7-(4-benzylpiperidine-1-carbonyl)-3-[(4-methoxyphenyl)methyl]-1234-tetrahydroquinazoline-24-dione

SMILES

COc1ccc(CN(C(c(ccc(C(N2CCC(Cc3ccccc3)CC2)=O)c2)c2N2)=O)C2=O)cc1

InChI

InChI=1S/C29H29N3O4/c1-36-24-10-7-22(8-11-24)19-32-28(34)25-12-9-23(18-26(25)30-29(32)35)27(33)31-15-13-21(14-16-31)17-20-5-3-2-4-6-20/h2-12,18,21H,13-17,19H2,1H3,(H,30,35)

InChI Key

FPNGSUIBKPWIFN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14724749

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

483.57

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.945

Distribution Coefficient, logD

4.945

Water Solubility, LogSw

-4.67

Polar Surface Area

64.401

Acid Dissociation Constant (pKa)

10.96

Base Dissociation Constant (pKb)

-2.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.60

C190-0242 in Drug Discovery

Included in Screening Libraries

GPCR Targeted Library (31838 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with C190-0242 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C190-0242?
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What is the minimum amount of C190-0242 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C190-0242
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C190-0242
  • 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 C190-0242 available by request