V019-4813 Screening compound: ethyl 1-[2-({[(2-fluorophenyl)methyl]({[3-(trifluoromethyl)phenyl]methyl})amino}methyl)-1,3-oxazole-4-carbonyl]piperidine-3-carboxylate

V019-4813 Screening compound: ethyl 1-[2-({[(2-fluorophenyl)methyl]({[3-(trifluoromethyl)phenyl]methyl})amino}methyl)-1,3-oxazole-4-carbonyl]piperidine-3-carboxylate
V019-4813 Screening compound: ethyl 1-[2-({[(2-fluorophenyl)methyl]({[3-(trifluoromethyl)phenyl]methyl})amino}methyl)-1,3-oxazole-4-carbonyl]piperidine-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V019-4813
ethyl 1-[2-({[(2-fluorophenyl)methyl]({[3-(trifluoromethyl)phenyl]methyl})amino}methyl)-1,3-oxazole-4-carbonyl]piperidine-3-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

V019-4813

Molecular Formula

C28H29F4N3O4 (C28 H29 F4 N3 O4)

Compound Name

ethyl 1-[2-({[(2-fluorophenyl)methyl]({[3-(trifluoromethyl)phenyl]methyl})amino}methyl)-1,3-oxazole-4-carbonyl]piperidine-3-carboxylate

IUPAC name

ethyl 1-[2-({[(2-fluorophenyl)methyl]({[3-(trifluoromethyl)phenyl]methyl})amino}methyl)-13-oxazole-4-carbonyl]piperidine-3-carboxylate

SMILES

CCOC(C(CCC1)CN1C(c1coc(CN(Cc2cc(C(F)(F)F)ccc2)Cc(cccc2)c2F)n1)=O)=O

InChI

InChI=1S/C28H29F4N3O4/c1-2-38-27(37)21-9-6-12-35(16-21)26(36)24-18-39-25(33-24)17-34(15-20-8-3-4-11-23(20)29)14-19-7-5-10-22(13-19)28(30,31)32/h3-5,7-8,10-11,13,18,21H,2,6,9,12,14-17H2,1H3/t21-/m0/s1

InChI Key

AYOBHGYUFDXSMP-NRFANRHFSA-N

MDL Number (MFCD)

MFCD19832845

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

547.55

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.819

Distribution Coefficient, logD

4.819

Water Solubility, LogSw

-4.59

Polar Surface Area

59.420

Acid Dissociation Constant (pKa)

22.52

Base Dissociation Constant (pKb)

1.81

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

39.29

References: we are preparing a list of scientific research reports with V019-4813 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V019-4813?
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What is the minimum amount of V019-4813 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V019-4813
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V019-4813
  • 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 V019-4813 available by request