F667-0193 Screening compound: 5-{4-[2-(6-chloro-2-ethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl)acetyl]piperazin-1-yl}-1,3,6-trimethyl-1,2,3,4-tetrahydropyrimidine-2,4-dione

F667-0193 Screening compound: 5-{4-[2-(6-chloro-2-ethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl)acetyl]piperazin-1-yl}-1,3,6-trimethyl-1,2,3,4-tetrahydropyrimidine-2,4-dione
F667-0193 Screening compound: 5-{4-[2-(6-chloro-2-ethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl)acetyl]piperazin-1-yl}-1,3,6-trimethyl-1,2,3,4-tetrahydropyrimidine-2,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound F667-0193
5-{4-[2-(6-chloro-2-ethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl)acetyl]piperazin-1-yl}-1,3,6-trimethyl-1,2,3,4-tetrahydropyrimidine-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

F667-0193

Molecular Formula

C23H28ClN5O5 (C23 H28 ClN5 O5)

Compound Name

5-{4-[2-(6-chloro-2-ethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl)acetyl]piperazin-1-yl}-1,3,6-trimethyl-1,2,3,4-tetrahydropyrimidine-2,4-dione

IUPAC name

5-{4-[2-(6-chloro-2-ethyl-3-oxo-34-dihydro-2H-14-benzoxazin-4-yl)acetyl]piperazin-1-yl}-136-trimethyl-1234-tetrahydropyrimidine-24-dione

SMILES

CCC1Oc(ccc(Cl)c2)c2N(CC(N(CC2)CCN2C(C(N2C)=O)=C(C)N(C)C2=O)=O)C1=O

InChI

InChI=1S/C23H28ClN5O5/c1-5-17-21(31)29(16-12-15(24)6-7-18(16)34-17)13-19(30)27-8-10-28(11-9-27)20-14(2)25(3)23(33)26(4)22(20)32/h6-7,12,17H,5,8-11,13H2,1-4H3/t17-/m1/s1

InChI Key

AHCJMSVOLXCEPW-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD14961684

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

489.96

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.005

Distribution Coefficient, logD

2.002

Water Solubility, LogSw

-2.78

Polar Surface Area

74.441

Acid Dissociation Constant (pKa)

18.11

Base Dissociation Constant (pKb)

5.21

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

47.80

F667-0193 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

CNS MPO Library (28609 compounds)

GPCR Targeted Library (31838 compounds)

Nucleoside Mimetics Library (2197 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Antiviral
  • Infections
  • Cancer
  • Immune system
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with F667-0193 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F667-0193?
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What is the minimum amount of F667-0193 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F667-0193
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F667-0193
  • 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 F667-0193 available by request