C190-0058 Screening compound: 7-{4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidine-1-carbonyl}-3-pentyl-1,2,3,4-tetrahydroquinazoline-2,4-dione

C190-0058 Screening compound: 7-{4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidine-1-carbonyl}-3-pentyl-1,2,3,4-tetrahydroquinazoline-2,4-dione
C190-0058 Screening compound: 7-{4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidine-1-carbonyl}-3-pentyl-1,2,3,4-tetrahydroquinazoline-2,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound C190-0058
7-{4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidine-1-carbonyl}-3-pentyl-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

C190-0058

Molecular Formula

C26H28F3N3O4 (C26 H28 F3 N3 O4)

Compound Name

7-{4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidine-1-carbonyl}-3-pentyl-1,2,3,4-tetrahydroquinazoline-2,4-dione

IUPAC name

7-{4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidine-1-carbonyl}-3-pentyl-1234-tetrahydroquinazoline-24-dione

SMILES

CCCCCN(C(c(ccc(C(N(CC1)CCC1(c1cccc(C(F)(F)F)c1)O)=O)c1)c1N1)=O)C1=O

InChI

InChI=1S/C26H28F3N3O4/c1-2-3-4-12-32-23(34)20-9-8-17(15-21(20)30-24(32)35)22(33)31-13-10-25(36,11-14-31)18-6-5-7-19(16-18)26(27,28)29/h5-9,15-16,36H,2-4,10-14H2,1H3,(H,30,35)

InChI Key

CLRLUYQXNYQDGS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14724620

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

503.52

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.352

Distribution Coefficient, logD

4.352

Water Solubility, LogSw

-4.17

Polar Surface Area

72.213

Acid Dissociation Constant (pKa)

10.47

Base Dissociation Constant (pKb)

-3.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.30

C190-0058 in Drug Discovery

Included in Screening Libraries

DGK Inhibitors Library (10558 compounds)

Macl-GPIb alpha Interaction Library (22969 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
  • Hemic and lymphatic
  • Cardiovascular
  • Cancer
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with C190-0058 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C190-0058?
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What is the minimum amount of C190-0058 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C190-0058
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C190-0058
  • 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 C190-0058 available by request