V007-1641 Screening compound: methyl 8-{4-[(5-{[4-(methylsulfanyl)phenyl]methoxy}-4-oxo-4H-pyran-2-yl)methyl]piperazin-1-yl}-8-oxooctanoate

V007-1641 Screening compound: methyl 8-{4-[(5-{[4-(methylsulfanyl)phenyl]methoxy}-4-oxo-4H-pyran-2-yl)methyl]piperazin-1-yl}-8-oxooctanoate
V007-1641 Screening compound: methyl 8-{4-[(5-{[4-(methylsulfanyl)phenyl]methoxy}-4-oxo-4H-pyran-2-yl)methyl]piperazin-1-yl}-8-oxooctanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound V007-1641
methyl 8-{4-[(5-{[4-(methylsulfanyl)phenyl]methoxy}-4-oxo-4H-pyran-2-yl)methyl]piperazin-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

V007-1641

Molecular Formula

C27H36N2O6S (C27 H36 N2 O6 S)

Compound Name

methyl 8-{4-[(5-{[4-(methylsulfanyl)phenyl]methoxy}-4-oxo-4H-pyran-2-yl)methyl]piperazin-1-yl}-8-oxooctanoate

IUPAC name

methyl 8-{4-[(5-{[4-(methylsulfanyl)phenyl]methoxy}-4-oxo-4H-pyran-2-yl)methyl]piperazin-1-yl}-8-oxooctanoate

SMILES

COC(CCCCCCC(N1CCN(CC(OC=C2OCc(cc3)ccc3SC)=CC2=O)CC1)=O)=O

InChI

InChI=1S/C27H36N2O6S/c1-33-27(32)8-6-4-3-5-7-26(31)29-15-13-28(14-16-29)18-22-17-24(30)25(20-34-22)35-19-21-9-11-23(36-2)12-10-21/h9-12,17,20H,3-8,13-16,18-19H2,1-2H3

InChI Key

NQWSIMWTNJYPHG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19966230

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

516.66

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

15.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.103

Distribution Coefficient, logD

3.102

Water Solubility, LogSw

-3.25

Polar Surface Area

70.662

Acid Dissociation Constant (pKa)

23.51

Base Dissociation Constant (pKb)

4.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

51.90

References: we are preparing a list of scientific research reports with V007-1641 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V007-1641?
Check Price and Availability of V007-1641, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of V007-1641 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V007-1641
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V007-1641
  • 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 V007-1641 available by request