C190-0223 Screening compound: N-[3-(azepan-1-yl)propyl]-3-[(4-methoxyphenyl)methyl]-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-7-carboxamide

C190-0223 Screening compound: N-[3-(azepan-1-yl)propyl]-3-[(4-methoxyphenyl)methyl]-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-7-carboxamide
C190-0223 Screening compound: N-[3-(azepan-1-yl)propyl]-3-[(4-methoxyphenyl)methyl]-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-7-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C190-0223
N-[3-(azepan-1-yl)propyl]-3-[(4-methoxyphenyl)methyl]-2,4-dioxo-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

C190-0223

Molecular Formula

C26H32N4O4 (C26 H32 N4 O4)

Compound Name

N-[3-(azepan-1-yl)propyl]-3-[(4-methoxyphenyl)methyl]-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-7-carboxamide

IUPAC name

N-[3-(azepan-1-yl)propyl]-3-[(4-methoxyphenyl)methyl]-24-dioxo-1234-tetrahydroquinazoline-7-carboxamide

SMILES

COc1ccc(CN(C(c(ccc(C(NCCCN2CCCCCC2)=O)c2)c2N2)=O)C2=O)cc1

InChI

InChI=1S/C26H32N4O4/c1-34-21-10-7-19(8-11-21)18-30-25(32)22-12-9-20(17-23(22)28-26(30)33)24(31)27-13-6-16-29-14-4-2-3-5-15-29/h7-12,17H,2-6,13-16,18H2,1H3,(H,27,31)(H,28,33)

InChI Key

XQRCOZUZJMWDEW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14724740

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

464.56

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.442

Distribution Coefficient, logD

0.871

Water Solubility, LogSw

-3.68

Polar Surface Area

76.592

Acid Dissociation Constant (pKa)

10.24

Base Dissociation Constant (pKb)

9.97

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.30

C190-0223 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

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

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
Therapeutical areas:
  • Nervous system
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with C190-0223 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C190-0223?
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What is the minimum amount of C190-0223 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C190-0223
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C190-0223
  • 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 C190-0223 available by request