V021-6228 Screening compound: ethyl 1-[2-({[(2H-1,3-benzodioxol-5-yl)methyl][(2-fluorophenyl)methyl]amino}methyl)-1,3-oxazole-4-carbonyl]piperidine-3-carboxylate

V021-6228 Screening compound: ethyl 1-[2-({[(2H-1,3-benzodioxol-5-yl)methyl][(2-fluorophenyl)methyl]amino}methyl)-1,3-oxazole-4-carbonyl]piperidine-3-carboxylate
V021-6228 Screening compound: ethyl 1-[2-({[(2H-1,3-benzodioxol-5-yl)methyl][(2-fluorophenyl)methyl]amino}methyl)-1,3-oxazole-4-carbonyl]piperidine-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V021-6228
ethyl 1-[2-({[(2H-1,3-benzodioxol-5-yl)methyl][(2-fluorophenyl)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

V021-6228

Molecular Formula

C28H30FN3O6 (C28 H30 FN3 O6)

Compound Name

ethyl 1-[2-({[(2H-1,3-benzodioxol-5-yl)methyl][(2-fluorophenyl)methyl]amino}methyl)-1,3-oxazole-4-carbonyl]piperidine-3-carboxylate

IUPAC name

ethyl 1-[2-({[(2H-13-benzodioxol-5-yl)methyl][(2-fluorophenyl)methyl]amino}methyl)-13-oxazole-4-carbonyl]piperidine-3-carboxylate

SMILES

CCOC(C(CCC1)CN1C(c1coc(CN(Cc(cc2)cc3c2OCO3)Cc(cccc2)c2F)n1)=O)=O

InChI

InChI=1S/C28H30FN3O6/c1-2-35-28(34)21-7-5-11-32(15-21)27(33)23-17-36-26(30-23)16-31(14-20-6-3-4-8-22(20)29)13-19-9-10-24-25(12-19)38-18-37-24/h3-4,6,8-10,12,17,21H,2,5,7,11,13-16,18H2,1H3/t21-/m0/s1

InChI Key

UWLXBOOJZHWYHX-NRFANRHFSA-N

MDL Number (MFCD)

MFCD19830253

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

523.56

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.933

Distribution Coefficient, logD

3.933

Water Solubility, LogSw

-3.80

Polar Surface Area

76.535

Acid Dissociation Constant (pKa)

22.52

Base Dissociation Constant (pKb)

3.93

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

39.30

References: we are preparing a list of scientific research reports with V021-6228 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V021-6228?
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What is the minimum amount of V021-6228 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V021-6228
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V021-6228
  • 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 V021-6228 available by request