V029-6196 Screening compound: 2-[4-({5-[(3,5-dimethylphenyl)methoxy]-4-oxo-4H-pyran-2-yl}methyl)piperazin-1-yl]-2-oxoethyl acetate

V029-6196 Screening compound: 2-[4-({5-[(3,5-dimethylphenyl)methoxy]-4-oxo-4H-pyran-2-yl}methyl)piperazin-1-yl]-2-oxoethyl acetate
V029-6196 Screening compound: 2-[4-({5-[(3,5-dimethylphenyl)methoxy]-4-oxo-4H-pyran-2-yl}methyl)piperazin-1-yl]-2-oxoethyl acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound V029-6196
2-[4-({5-[(3,5-dimethylphenyl)methoxy]-4-oxo-4H-pyran-2-yl}methyl)piperazin-1-yl]-2-oxoethyl acetate

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

V029-6196

Molecular Formula

C23H28N2O6 (C23 H28 N2 O6)

Compound Name

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

IUPAC name

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

SMILES

CC(OCC(N1CCN(CC(OC=C2OCc3cc(C)cc(C)c3)=CC2=O)CC1)=O)=O

InChI

InChI=1S/C23H28N2O6/c1-16-8-17(2)10-19(9-16)13-31-22-14-30-20(11-21(22)27)12-24-4-6-25(7-5-24)23(28)15-29-18(3)26/h8-11,14H,4-7,12-13,15H2,1-3H3

InChI Key

XSRGMEFDYIVEQD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19945779

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

428.49

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.925

Distribution Coefficient, logD

1.925

Water Solubility, LogSw

-2.05

Polar Surface Area

71.314

Acid Dissociation Constant (pKa)

23.66

Base Dissociation Constant (pKb)

4.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

43.48

V029-6196 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V029-6196 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V029-6196?
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What is the minimum amount of V029-6196 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V029-6196
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V029-6196
  • 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 V029-6196 available by request