V018-6576 Screening compound: ethyl 6-[(4-benzoylpiperazin-1-yl)methyl]-1-ethyl-4-(3-fluorophenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

V018-6576 Screening compound: ethyl 6-[(4-benzoylpiperazin-1-yl)methyl]-1-ethyl-4-(3-fluorophenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
V018-6576 Screening compound: ethyl 6-[(4-benzoylpiperazin-1-yl)methyl]-1-ethyl-4-(3-fluorophenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V018-6576
ethyl 6-[(4-benzoylpiperazin-1-yl)methyl]-1-ethyl-4-(3-fluorophenyl)-2-oxo-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

V018-6576

Molecular Formula

C27H31FN4O4 (C27 H31 FN4 O4)

Compound Name

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

IUPAC name

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

SMILES

CCN(C(CN(CC1)CCN1C(c1ccccc1)=O)=C(C(c1cccc(F)c1)N1)C(OCC)=O)C1=O

InChI

InChI=1S/C27H31FN4O4/c1-3-32-22(18-30-13-15-31(16-14-30)25(33)19-9-6-5-7-10-19)23(26(34)36-4-2)24(29-27(32)35)20-11-8-12-21(28)17-20/h5-12,17,24H,3-4,13-16,18H2,1-2H3,(H,29,35)/t24-/m0/s1

InChI Key

VOPFXUPDMZKOHN-DEOSSOPVSA-N

MDL Number (MFCD)

MFCD19978285

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

494.57

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.878

Distribution Coefficient, logD

2.432

Water Solubility, LogSw

-3.24

Polar Surface Area

68.938

Acid Dissociation Constant (pKa)

9.66

Base Dissociation Constant (pKb)

7.65

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

37.00

References: we are preparing a list of scientific research reports with V018-6576 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V018-6576?
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What is the minimum amount of V018-6576 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V018-6576
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V018-6576
  • 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 V018-6576 available by request