V009-6728 Screening compound: methyl 4-{[1-(4-chlorophenyl)-2-{4-[3-(difluoromethoxy)benzenesulfonyl]piperazin-1-yl}ethoxy]methyl}benzoate

V009-6728 Screening compound: methyl 4-{[1-(4-chlorophenyl)-2-{4-[3-(difluoromethoxy)benzenesulfonyl]piperazin-1-yl}ethoxy]methyl}benzoate
V009-6728 Screening compound: methyl 4-{[1-(4-chlorophenyl)-2-{4-[3-(difluoromethoxy)benzenesulfonyl]piperazin-1-yl}ethoxy]methyl}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound V009-6728
methyl 4-{[1-(4-chlorophenyl)-2-{4-[3-(difluoromethoxy)benzenesulfonyl]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

V009-6728

Molecular Formula

C28H29ClF2N2O6S (C28 H29 ClF2 N2 O6 S)

Compound Name

methyl 4-{[1-(4-chlorophenyl)-2-{4-[3-(difluoromethoxy)benzenesulfonyl]piperazin-1-yl}ethoxy]methyl}benzoate

IUPAC name

methyl 4-{[1-(4-chlorophenyl)-2-{4-[3-(difluoromethoxy)benzenesulfonyl]piperazin-1-yl}ethoxy]methyl}benzoate

SMILES

COC(c1ccc(COC(CN(CC2)CCN2S(c2cc(OC(F)F)ccc2)(=O)=O)c(cc2)ccc2Cl)cc1)=O

InChI

InChI=1S/C28H29ClF2N2O6S/c1-37-27(34)22-7-5-20(6-8-22)19-38-26(21-9-11-23(29)12-10-21)18-32-13-15-33(16-14-32)40(35,36)25-4-2-3-24(17-25)39-28(30)31/h2-12,17,26,28H,13-16,18-19H2,1H3/t26-/m0/s1

InChI Key

RSWHWZNFDSEAEE-SANMLTNESA-N

MDL Number (MFCD)

MFCD19961569

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

595.06

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.831

Distribution Coefficient, logD

4.830

Water Solubility, LogSw

-5.14

Polar Surface Area

70.149

Acid Dissociation Constant (pKa)

23.09

Base Dissociation Constant (pKb)

4.85

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

32.10

References: we are preparing a list of scientific research reports with V009-6728 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V009-6728?
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What is the minimum amount of V009-6728 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V009-6728
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V009-6728
  • 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 V009-6728 available by request