E733-0064 Screening compound: ethyl 4-(4-fluorophenyl)-2-oxo-6-(piperidinomethyl)-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate

E733-0064 Screening compound: ethyl 4-(4-fluorophenyl)-2-oxo-6-(piperidinomethyl)-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate
E733-0064 Screening compound: ethyl 4-(4-fluorophenyl)-2-oxo-6-(piperidinomethyl)-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound E733-0064
ethyl 4-(4-fluorophenyl)-2-oxo-6-(piperidinomethyl)-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

E733-0064

Molecular Formula

C19H24FN3O3 (C19 H24 FN3 O3)

Compound Name

ethyl 4-(4-fluorophenyl)-2-oxo-6-(piperidinomethyl)-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate

IUPAC name

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

SMILES

CCOC(C(C(c(cc1)ccc1F)N1)=C(CN2CCCCC2)NC1=O)=O

InChI

InChI=1S/C19H24FN3O3/c1-2-26-18(24)16-15(12-23-10-4-3-5-11-23)21-19(25)22-17(16)13-6-8-14(20)9-7-13/h6-9,17H,2-5,10-12H2,1H3,(H2,21,22,25)/t17-/m0/s1

InChI Key

LSGUPUUFIXWZKF-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD14913385

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

361.42

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.169

Distribution Coefficient, logD

2.169

Water Solubility, LogSw

-2.86

Polar Surface Area

60.785

Acid Dissociation Constant (pKa)

6.55

Base Dissociation Constant (pKb)

11.67

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

47.37

E733-0064 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with E733-0064 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E733-0064?
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What is the minimum amount of E733-0064 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E733-0064
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E733-0064
  • 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 E733-0064 available by request