V014-7842 Screening compound: 2-({[(2H-1,3-benzodioxol-5-yl)methyl][(2-fluorophenyl)methyl]amino}methyl)-N-[(oxolan-2-yl)methyl]-1,3-oxazole-4-carboxamide

V014-7842 Screening compound: 2-({[(2H-1,3-benzodioxol-5-yl)methyl][(2-fluorophenyl)methyl]amino}methyl)-N-[(oxolan-2-yl)methyl]-1,3-oxazole-4-carboxamide
V014-7842 Screening compound: 2-({[(2H-1,3-benzodioxol-5-yl)methyl][(2-fluorophenyl)methyl]amino}methyl)-N-[(oxolan-2-yl)methyl]-1,3-oxazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V014-7842
2-({[(2H-1,3-benzodioxol-5-yl)methyl][(2-fluorophenyl)methyl]amino}methyl)-N-[(oxolan-2-yl)methyl]-1,3-oxazole-4-carboxamide

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

V014-7842

Molecular Formula

C25H26FN3O5 (C25 H26 FN3 O5)

Compound Name

2-({[(2H-1,3-benzodioxol-5-yl)methyl][(2-fluorophenyl)methyl]amino}methyl)-N-[(oxolan-2-yl)methyl]-1,3-oxazole-4-carboxamide

IUPAC name

2-({[(2H-13-benzodioxol-5-yl)methyl][(2-fluorophenyl)methyl]amino}methyl)-N-[(oxolan-2-yl)methyl]-13-oxazole-4-carboxamide

SMILES

O=C(c1coc(CN(Cc(cc2)cc3c2OCO3)Cc(cccc2)c2F)n1)NCC1OCCC1

InChI

InChI=1S/C25H26FN3O5/c26-20-6-2-1-4-18(20)13-29(12-17-7-8-22-23(10-17)34-16-33-22)14-24-28-21(15-32-24)25(30)27-11-19-5-3-9-31-19/h1-2,4,6-8,10,15,19H,3,5,9,11-14,16H2,(H,27,30)/t19-/m1/s1

InChI Key

WFENYWBURXVSLU-LJQANCHMSA-N

MDL Number (MFCD)

MFCD19827146

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

467.5

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.019

Distribution Coefficient, logD

3.019

Water Solubility, LogSw

-3.21

Polar Surface Area

72.268

Acid Dissociation Constant (pKa)

13.68

Base Dissociation Constant (pKb)

3.93

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.00

References: we are preparing a list of scientific research reports with V014-7842 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V014-7842?
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What is the minimum amount of V014-7842 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V014-7842
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V014-7842
  • 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 V014-7842 available by request