V003-2745 Screening compound: methyl 4-{[1-(4-chlorophenyl)-2-[4-(thiophene-2-sulfonyl)piperazin-1-yl]ethoxy]methyl}benzoate

V003-2745 Screening compound: methyl 4-{[1-(4-chlorophenyl)-2-[4-(thiophene-2-sulfonyl)piperazin-1-yl]ethoxy]methyl}benzoate
V003-2745 Screening compound: methyl 4-{[1-(4-chlorophenyl)-2-[4-(thiophene-2-sulfonyl)piperazin-1-yl]ethoxy]methyl}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound V003-2745
methyl 4-{[1-(4-chlorophenyl)-2-[4-(thiophene-2-sulfonyl)piperazin-1-yl]ethoxy]methyl}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

V003-2745

Molecular Formula

C25H27ClN2O5S2 (C25 H27 ClN2 O5 S2)

Compound Name

methyl 4-{[1-(4-chlorophenyl)-2-[4-(thiophene-2-sulfonyl)piperazin-1-yl]ethoxy]methyl}benzoate

IUPAC name

methyl 4-{[1-(4-chlorophenyl)-2-[4-(thiophene-2-sulfonyl)piperazin-1-yl]ethoxy]methyl}benzoate

SMILES

COC(c1ccc(COC(CN(CC2)CCN2S(c2cccs2)(=O)=O)c(cc2)ccc2Cl)cc1)=O

InChI

InChI=1S/C25H27ClN2O5S2/c1-32-25(29)21-6-4-19(5-7-21)18-33-23(20-8-10-22(26)11-9-20)17-27-12-14-28(15-13-27)35(30,31)24-3-2-16-34-24/h2-11,16,23H,12-15,17-18H2,1H3/t23-/m0/s1

InChI Key

LHPRGLNIENHSQN-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD19961281

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

535.08

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.407

Distribution Coefficient, logD

4.405

Water Solubility, LogSw

-4.81

Polar Surface Area

64.563

Acid Dissociation Constant (pKa)

23.09

Base Dissociation Constant (pKb)

5.01

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

32.00

References: we are preparing a list of scientific research reports with V003-2745 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V003-2745?
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What is the minimum amount of V003-2745 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V003-2745
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V003-2745
  • 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 V003-2745 available by request