V028-0450 Screening compound: ethyl 1-ethyl-2-oxo-6-{[4-(phenylcarbamoyl)piperazin-1-yl]methyl}-4-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylate

V028-0450 Screening compound: ethyl 1-ethyl-2-oxo-6-{[4-(phenylcarbamoyl)piperazin-1-yl]methyl}-4-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylate
V028-0450 Screening compound: ethyl 1-ethyl-2-oxo-6-{[4-(phenylcarbamoyl)piperazin-1-yl]methyl}-4-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V028-0450
ethyl 1-ethyl-2-oxo-6-{[4-(phenylcarbamoyl)piperazin-1-yl]methyl}-4-[4-(trifluoromethyl)phenyl]-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

V028-0450

Molecular Formula

C28H32F3N5O4 (C28 H32 F3 N5 O4)

Compound Name

ethyl 1-ethyl-2-oxo-6-{[4-(phenylcarbamoyl)piperazin-1-yl]methyl}-4-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylate

IUPAC name

ethyl 1-ethyl-2-oxo-6-{[4-(phenylcarbamoyl)piperazin-1-yl]methyl}-4-[4-(trifluoromethyl)phenyl]-1234-tetrahydropyrimidine-5-carboxylate

SMILES

CCN(C(CN(CC1)CCN1C(Nc1ccccc1)=O)=C(C(c1ccc(C(F)(F)F)cc1)N1)C(OCC)=O)C1=O

InChI

InChI=1S/C28H32F3N5O4/c1-3-36-22(18-34-14-16-35(17-15-34)26(38)32-21-8-6-5-7-9-21)23(25(37)40-4-2)24(33-27(36)39)19-10-12-20(13-11-19)28(29,30)31/h5-13,24H,3-4,14-18H2,1-2H3,(H,32,38)(H,33,39)/t24-/m0/s1

InChI Key

DKDUHJGFHVNAOR-DEOSSOPVSA-N

MDL Number (MFCD)

MFCD19809514

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

559.59

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.840

Distribution Coefficient, logD

2.171

Water Solubility, LogSw

-3.83

Polar Surface Area

77.759

Acid Dissociation Constant (pKa)

9.66

Base Dissociation Constant (pKb)

9.06

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

39.30

V028-0450 in Drug Discovery

Included in Screening Libraries

Serine Proteases Inhibitors Library (32732 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with V028-0450 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V028-0450?
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What is the minimum amount of V028-0450 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V028-0450
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V028-0450
  • 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 V028-0450 available by request