V018-5182 Screening compound: ethyl 4-(3-fluorophenyl)-2-oxo-1-(prop-2-en-1-yl)-6-{[4-(propylcarbamoyl)piperazin-1-yl]methyl}-1,2,3,4-tetrahydropyrimidine-5-carboxylate

V018-5182 Screening compound: ethyl 4-(3-fluorophenyl)-2-oxo-1-(prop-2-en-1-yl)-6-{[4-(propylcarbamoyl)piperazin-1-yl]methyl}-1,2,3,4-tetrahydropyrimidine-5-carboxylate
V018-5182 Screening compound: ethyl 4-(3-fluorophenyl)-2-oxo-1-(prop-2-en-1-yl)-6-{[4-(propylcarbamoyl)piperazin-1-yl]methyl}-1,2,3,4-tetrahydropyrimidine-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V018-5182
ethyl 4-(3-fluorophenyl)-2-oxo-1-(prop-2-en-1-yl)-6-{[4-(propylcarbamoyl)piperazin-1-yl]methyl}-1,2,3,4-tetrahydropyrimidine-5-carboxylate

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

V018-5182

Molecular Formula

C25H34FN5O4 (C25 H34 FN5 O4)

Compound Name

ethyl 4-(3-fluorophenyl)-2-oxo-1-(prop-2-en-1-yl)-6-{[4-(propylcarbamoyl)piperazin-1-yl]methyl}-1,2,3,4-tetrahydropyrimidine-5-carboxylate

IUPAC name

ethyl 4-(3-fluorophenyl)-2-oxo-1-(prop-2-en-1-yl)-6-{[4-(propylcarbamoyl)piperazin-1-yl]methyl}-1234-tetrahydropyrimidine-5-carboxylate

SMILES

CCCNC(N1CCN(CC(N(CC=C)C(NC2c3cccc(F)c3)=O)=C2C(OCC)=O)CC1)=O

InChI

InChI=1S/C25H34FN5O4/c1-4-10-27-24(33)30-14-12-29(13-15-30)17-20-21(23(32)35-6-3)22(18-8-7-9-19(26)16-18)28-25(34)31(20)11-5-2/h5,7-9,16,22H,2,4,6,10-15,17H2,1,3H3,(H,27,33)(H,28,34)/t22-/m0/s1

InChI Key

MBUMVYISQQNDSY-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD19816082

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

487.57

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.866

Distribution Coefficient, logD

0.922

Water Solubility, LogSw

-3.18

Polar Surface Area

79.447

Acid Dissociation Constant (pKa)

9.58

Base Dissociation Constant (pKb)

9.34

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

48.00

References: we are preparing a list of scientific research reports with V018-5182 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V018-5182?
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What is the minimum amount of V018-5182 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V018-5182
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V018-5182
  • 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 V018-5182 available by request