V008-9507 Screening compound: ethyl 1-ethyl-4-(3-fluorophenyl)-6-{[4-(3-methoxybenzoyl)-3-methylpiperazin-1-yl]methyl}-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

V008-9507 Screening compound: ethyl 1-ethyl-4-(3-fluorophenyl)-6-{[4-(3-methoxybenzoyl)-3-methylpiperazin-1-yl]methyl}-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
V008-9507 Screening compound: ethyl 1-ethyl-4-(3-fluorophenyl)-6-{[4-(3-methoxybenzoyl)-3-methylpiperazin-1-yl]methyl}-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V008-9507
ethyl 1-ethyl-4-(3-fluorophenyl)-6-{[4-(3-methoxybenzoyl)-3-methylpiperazin-1-yl]methyl}-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

V008-9507

Molecular Formula

C29H35FN4O5 (C29 H35 FN4 O5)

Compound Name

ethyl 1-ethyl-4-(3-fluorophenyl)-6-{[4-(3-methoxybenzoyl)-3-methylpiperazin-1-yl]methyl}-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

IUPAC name

ethyl 1-ethyl-4-(3-fluorophenyl)-6-{[4-(3-methoxybenzoyl)-3-methylpiperazin-1-yl]methyl}-2-oxo-1234-tetrahydropyrimidine-5-carboxylate

SMILES

CCN(C(CN(CC1)CC(C)N1C(c1cc(OC)ccc1)=O)=C(C(c1cccc(F)c1)N1)C(OCC)=O)C1=O

InChI

InChI=1S/C29H35FN4O5/c1-5-33-24(25(28(36)39-6-2)26(31-29(33)37)20-9-7-11-22(30)15-20)18-32-13-14-34(19(3)17-32)27(35)21-10-8-12-23(16-21)38-4/h7-12,15-16,19,26H,5-6,13-14,17-18H2,1-4H3,(H,31,37)

InChI Key

UNWUZLGGQPFFRK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19809531

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

538.62

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.604

Distribution Coefficient, logD

3.174

Water Solubility, LogSw

-3.75

Polar Surface Area

75.700

Acid Dissociation Constant (pKa)

9.66

Base Dissociation Constant (pKb)

7.63

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

41.40

References: we are preparing a list of scientific research reports with V008-9507 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V008-9507?
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What is the minimum amount of V008-9507 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V008-9507
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V008-9507
  • 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 V008-9507 available by request