V007-4422 Screening compound: methyl 8-[4-({5-[(3-fluorobenzyl)oxy]-4-oxo-4H-pyran-2-yl}methyl)-1,4-diazepan-1-yl]-8-oxooctanoate

V007-4422 Screening compound: methyl 8-[4-({5-[(3-fluorobenzyl)oxy]-4-oxo-4H-pyran-2-yl}methyl)-1,4-diazepan-1-yl]-8-oxooctanoate
V007-4422 Screening compound: methyl 8-[4-({5-[(3-fluorobenzyl)oxy]-4-oxo-4H-pyran-2-yl}methyl)-1,4-diazepan-1-yl]-8-oxooctanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound V007-4422
methyl 8-[4-({5-[(3-fluorobenzyl)oxy]-4-oxo-4H-pyran-2-yl}methyl)-1,4-diazepan-1-yl]-8-oxooctanoate

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

V007-4422

Molecular Formula

C27H35FN2O6 (C27 H35 FN2 O6)

Compound Name

methyl 8-[4-({5-[(3-fluorobenzyl)oxy]-4-oxo-4H-pyran-2-yl}methyl)-1,4-diazepan-1-yl]-8-oxooctanoate

IUPAC name

methyl 8-[4-({5-[(3-fluorophenyl)methoxy]-4-oxo-4H-pyran-2-yl}methyl)-14-diazepan-1-yl]-8-oxooctanoate

SMILES

COC(CCCCCCC(N1CCN(CC(OC=C2OCc3cccc(F)c3)=CC2=O)CCC1)=O)=O

InChI

InChI=1S/C27H35FN2O6/c1-34-27(33)11-5-3-2-4-10-26(32)30-13-7-12-29(14-15-30)18-23-17-24(31)25(20-35-23)36-19-21-8-6-9-22(28)16-21/h6,8-9,16-17,20H,2-5,7,10-15,18-19H2,1H3

InChI Key

IBTYJWBWUUMJIE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19966204

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

502.58

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

14.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.830

Distribution Coefficient, logD

2.808

Water Solubility, LogSw

-3.14

Polar Surface Area

70.993

Acid Dissociation Constant (pKa)

23.51

Base Dissociation Constant (pKb)

6.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

51.85

References: we are preparing a list of scientific research reports with V007-4422 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V007-4422?
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What is the minimum amount of V007-4422 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V007-4422
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V007-4422
  • 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 V007-4422 available by request