V018-5167 Screening compound: ethyl 1-ethyl-6-[(4-ethylpiperazino)methyl]-4-(3-fluorophenyl)-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate

V018-5167 Screening compound: ethyl 1-ethyl-6-[(4-ethylpiperazino)methyl]-4-(3-fluorophenyl)-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate
V018-5167 Screening compound: ethyl 1-ethyl-6-[(4-ethylpiperazino)methyl]-4-(3-fluorophenyl)-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V018-5167
ethyl 1-ethyl-6-[(4-ethylpiperazino)methyl]-4-(3-fluorophenyl)-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate

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

V018-5167

Molecular Formula

C22H31FN4O3 (C22 H31 FN4 O3)

Compound Name

ethyl 1-ethyl-6-[(4-ethylpiperazino)methyl]-4-(3-fluorophenyl)-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate

IUPAC name

ethyl 1-ethyl-6-[(4-ethylpiperazin-1-yl)methyl]-4-(3-fluorophenyl)-2-oxo-1234-tetrahydropyrimidine-5-carboxylate

SMILES

CCN1CCN(CC(N(CC)C(NC2c3cccc(F)c3)=O)=C2C(OCC)=O)CC1

InChI

InChI=1S/C22H31FN4O3/c1-4-25-10-12-26(13-11-25)15-18-19(21(28)30-6-3)20(24-22(29)27(18)5-2)16-8-7-9-17(23)14-16/h7-9,14,20H,4-6,10-13,15H2,1-3H3,(H,24,29)/t20-/m0/s1

InChI Key

VQOBOXIWQMKOBT-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD19809149

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

418.51

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.355

Distribution Coefficient, logD

0.935

Water Solubility, LogSw

-2.83

Polar Surface Area

56.018

Acid Dissociation Constant (pKa)

9.66

Base Dissociation Constant (pKb)

8.80

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

54.54

References: we are preparing a list of scientific research reports with V018-5167 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V018-5167?
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What is the minimum amount of V018-5167 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V018-5167
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V018-5167
  • 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 V018-5167 available by request