V008-3091 Screening compound: methyl 2-{[4-({5-[(3,5-dimethylphenyl)methoxy]-4-oxo-4H-pyran-2-yl}methyl)piperazin-1-yl]sulfonyl}benzoate

V008-3091 Screening compound: methyl 2-{[4-({5-[(3,5-dimethylphenyl)methoxy]-4-oxo-4H-pyran-2-yl}methyl)piperazin-1-yl]sulfonyl}benzoate
V008-3091 Screening compound: methyl 2-{[4-({5-[(3,5-dimethylphenyl)methoxy]-4-oxo-4H-pyran-2-yl}methyl)piperazin-1-yl]sulfonyl}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound V008-3091
methyl 2-{[4-({5-[(3,5-dimethylphenyl)methoxy]-4-oxo-4H-pyran-2-yl}methyl)piperazin-1-yl]sulfonyl}benzoate

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

V008-3091

Molecular Formula

C27H30N2O7S (C27 H30 N2 O7 S)

Compound Name

methyl 2-{[4-({5-[(3,5-dimethylphenyl)methoxy]-4-oxo-4H-pyran-2-yl}methyl)piperazin-1-yl]sulfonyl}benzoate

IUPAC name

methyl 2-{[4-({5-[(35-dimethylphenyl)methoxy]-4-oxo-4H-pyran-2-yl}methyl)piperazin-1-yl]sulfonyl}benzoate

SMILES

Cc1cc(COC2=COC(CN(CC3)CCN3S(c(cccc3)c3C(OC)=O)(=O)=O)=CC2=O)cc(C)c1

InChI

InChI=1S/C27H30N2O7S/c1-19-12-20(2)14-21(13-19)17-36-25-18-35-22(15-24(25)30)16-28-8-10-29(11-9-28)37(32,33)26-7-5-4-6-23(26)27(31)34-3/h4-7,12-15,18H,8-11,16-17H2,1-3H3

InChI Key

ZAJWJHMCUJSCAA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19945947

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

526.61

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.822

Distribution Coefficient, logD

3.822

Water Solubility, LogSw

-3.96

Polar Surface Area

86.576

Acid Dissociation Constant (pKa)

28.13

Base Dissociation Constant (pKb)

3.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

References: we are preparing a list of scientific research reports with V008-3091 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V008-3091?
Check Price and Availability of V008-3091, 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 V008-3091 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V008-3091
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V008-3091
  • 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 V008-3091 available by request