V004-2054 Screening compound: 2-(4-{5-[(4-ethylpiperazin-1-yl)sulfonyl]-2-methoxyphenyl}piperazin-1-yl)-2-oxo-1-phenylethyl acetate

V004-2054 Screening compound: 2-(4-{5-[(4-ethylpiperazin-1-yl)sulfonyl]-2-methoxyphenyl}piperazin-1-yl)-2-oxo-1-phenylethyl acetate
V004-2054 Screening compound: 2-(4-{5-[(4-ethylpiperazin-1-yl)sulfonyl]-2-methoxyphenyl}piperazin-1-yl)-2-oxo-1-phenylethyl acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound V004-2054
2-(4-{5-[(4-ethylpiperazin-1-yl)sulfonyl]-2-methoxyphenyl}piperazin-1-yl)-2-oxo-1-phenylethyl 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

V004-2054

Molecular Formula

C27H36N4O6S (C27 H36 N4 O6 S)

Compound Name

2-(4-{5-[(4-ethylpiperazin-1-yl)sulfonyl]-2-methoxyphenyl}piperazin-1-yl)-2-oxo-1-phenylethyl acetate

IUPAC name

2-(4-{5-[(4-ethylpiperazin-1-yl)sulfonyl]-2-methoxyphenyl}piperazin-1-yl)-2-oxo-1-phenylethyl acetate

SMILES

CCN(CC1)CCN1S(c(cc1)cc(N(CC2)CCN2C(C(c2ccccc2)OC(C)=O)=O)c1OC)(=O)=O

InChI

InChI=1S/C27H36N4O6S/c1-4-28-12-18-31(19-13-28)38(34,35)23-10-11-25(36-3)24(20-23)29-14-16-30(17-15-29)27(33)26(37-21(2)32)22-8-6-5-7-9-22/h5-11,20,26H,4,12-19H2,1-3H3/t26-/m1/s1

InChI Key

DYELPIBJWASWST-AREMUKBSSA-N

MDL Number (MFCD)

MFCD19950639

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

544.67

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.659

Distribution Coefficient, logD

2.572

Water Solubility, LogSw

-3.14

Polar Surface Area

83.231

Acid Dissociation Constant (pKa)

22.91

Base Dissociation Constant (pKb)

6.74

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

48.10

V004-2054 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 V004-2054 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V004-2054?
Check Price and Availability of V004-2054, 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 V004-2054 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V004-2054
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V004-2054
  • 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 V004-2054 available by request