C191-0327 Screening compound: 6,7-dimethoxy-3-[6-oxo-6-(4-phenyl-1,2,3,6-tetrahydropyridin-1-yl)hexyl]-1,2,3,4-tetrahydroquinazoline-2,4-dione

C191-0327 Screening compound: 6,7-dimethoxy-3-[6-oxo-6-(4-phenyl-1,2,3,6-tetrahydropyridin-1-yl)hexyl]-1,2,3,4-tetrahydroquinazoline-2,4-dione
C191-0327 Screening compound: 6,7-dimethoxy-3-[6-oxo-6-(4-phenyl-1,2,3,6-tetrahydropyridin-1-yl)hexyl]-1,2,3,4-tetrahydroquinazoline-2,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound C191-0327
6,7-dimethoxy-3-[6-oxo-6-(4-phenyl-1,2,3,6-tetrahydropyridin-1-yl)hexyl]-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

C191-0327

Molecular Formula

C27H31N3O5 (C27 H31 N3 O5)

Compound Name

6,7-dimethoxy-3-[6-oxo-6-(4-phenyl-1,2,3,6-tetrahydropyridin-1-yl)hexyl]-1,2,3,4-tetrahydroquinazoline-2,4-dione

IUPAC name

67-dimethoxy-3-[6-oxo-6-(4-phenyl-1236-tetrahydropyridin-1-yl)hexyl]-1234-tetrahydroquinazoline-24-dione

SMILES

COc(c(OC)c1)cc(C(N2CCCCCC(N(CC3)CC=C3c3ccccc3)=O)=O)c1NC2=O

InChI

InChI=1S/C27H31N3O5/c1-34-23-17-21-22(18-24(23)35-2)28-27(33)30(26(21)32)14-8-4-7-11-25(31)29-15-12-20(13-16-29)19-9-5-3-6-10-19/h3,5-6,9-10,12,17-18H,4,7-8,11,13-16H2,1-2H3,(H,28,33)

InChI Key

JDITUEKLIANXBF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14725088

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

477.56

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.845

Distribution Coefficient, logD

3.829

Water Solubility, LogSw

-3.94

Polar Surface Area

71.840

Acid Dissociation Constant (pKa)

8.82

Base Dissociation Constant (pKb)

-2.56

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.00

C191-0327 in Drug Discovery

Included in Screening Libraries

DGK Inhibitors Library (10558 compounds)

Therapeutical Diversity Annotated Library (7563 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with C191-0327 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C191-0327?
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What is the minimum amount of C191-0327 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C191-0327
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C191-0327
  • 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 C191-0327 available by request