V008-9457 Screening compound: ethyl 6-({4-[(tert-butylamino)carbonyl]-3-methylpiperazino}methyl)-1-ethyl-4-(2-fluorophenyl)-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate

V008-9457 Screening compound: ethyl 6-({4-[(tert-butylamino)carbonyl]-3-methylpiperazino}methyl)-1-ethyl-4-(2-fluorophenyl)-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate
V008-9457 Screening compound: ethyl 6-({4-[(tert-butylamino)carbonyl]-3-methylpiperazino}methyl)-1-ethyl-4-(2-fluorophenyl)-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V008-9457
ethyl 6-({4-[(tert-butylamino)carbonyl]-3-methylpiperazino}methyl)-1-ethyl-4-(2-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

V008-9457

Molecular Formula

C26H38FN5O4 (C26 H38 FN5 O4)

Compound Name

ethyl 6-({4-[(tert-butylamino)carbonyl]-3-methylpiperazino}methyl)-1-ethyl-4-(2-fluorophenyl)-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate

IUPAC name

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

SMILES

CCN(C(CN(CC1)CC(C)N1C(NC(C)(C)C)=O)=C(C(c(cccc1)c1F)N1)C(OCC)=O)C1=O

InChI

InChI=1S/C26H38FN5O4/c1-7-31-20(16-30-13-14-32(17(3)15-30)25(35)29-26(4,5)6)21(23(33)36-8-2)22(28-24(31)34)18-11-9-10-12-19(18)27/h9-12,17,22H,7-8,13-16H2,1-6H3,(H,28,34)(H,29,35)

InChI Key

LCDNVPLLVHHLIR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19814470

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

503.62

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.506

Distribution Coefficient, logD

1.465

Water Solubility, LogSw

-3.41

Polar Surface Area

77.394

Acid Dissociation Constant (pKa)

9.66

Base Dissociation Constant (pKb)

9.44

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

57.69

References: we are preparing a list of scientific research reports with V008-9457 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V008-9457?
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What is the minimum amount of V008-9457 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V008-9457
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V008-9457
  • 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 V008-9457 available by request