C190-0027 Screening compound: N-[(4-methylphenyl)methyl]-2,4-dioxo-3-pentyl-1,2,3,4-tetrahydroquinazoline-7-carboxamide

C190-0027 Screening compound: N-[(4-methylphenyl)methyl]-2,4-dioxo-3-pentyl-1,2,3,4-tetrahydroquinazoline-7-carboxamide
C190-0027 Screening compound: N-[(4-methylphenyl)methyl]-2,4-dioxo-3-pentyl-1,2,3,4-tetrahydroquinazoline-7-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C190-0027
N-[(4-methylphenyl)methyl]-2,4-dioxo-3-pentyl-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

C190-0027

Molecular Formula

C22H25N3O3 (C22 H25 N3 O3)

Compound Name

N-[(4-methylphenyl)methyl]-2,4-dioxo-3-pentyl-1,2,3,4-tetrahydroquinazoline-7-carboxamide

IUPAC name

N-[(4-methylphenyl)methyl]-24-dioxo-3-pentyl-1234-tetrahydroquinazoline-7-carboxamide

SMILES

CCCCCN(C(c(ccc(C(NCc1ccc(C)cc1)=O)c1)c1N1)=O)C1=O

InChI

InChI=1S/C22H25N3O3/c1-3-4-5-12-25-21(27)18-11-10-17(13-19(18)24-22(25)28)20(26)23-14-16-8-6-15(2)7-9-16/h6-11,13H,3-5,12,14H2,1-2H3,(H,23,26)(H,24,28)

InChI Key

RVCGMYFGKBPNIC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14724598

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

379.46

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.442

Distribution Coefficient, logD

4.440

Water Solubility, LogSw

-4.16

Polar Surface Area

65.144

Acid Dissociation Constant (pKa)

9.75

Base Dissociation Constant (pKb)

-3.94

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.80

C190-0027 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with C190-0027 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C190-0027?
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What is the minimum amount of C190-0027 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C190-0027
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C190-0027
  • 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 C190-0027 available by request