V012-9555 Screening compound: methyl 5-(4-{5-[(4-benzylpiperidin-1-yl)sulfonyl]-2-methoxyphenyl}piperazin-1-yl)-5-oxopentanoate

V012-9555 Screening compound: methyl 5-(4-{5-[(4-benzylpiperidin-1-yl)sulfonyl]-2-methoxyphenyl}piperazin-1-yl)-5-oxopentanoate
V012-9555 Screening compound: methyl 5-(4-{5-[(4-benzylpiperidin-1-yl)sulfonyl]-2-methoxyphenyl}piperazin-1-yl)-5-oxopentanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound V012-9555
methyl 5-(4-{5-[(4-benzylpiperidin-1-yl)sulfonyl]-2-methoxyphenyl}piperazin-1-yl)-5-oxopentanoate

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

V012-9555

Molecular Formula

C29H39N3O6S (C29 H39 N3 O6 S)

Compound Name

methyl 5-(4-{5-[(4-benzylpiperidin-1-yl)sulfonyl]-2-methoxyphenyl}piperazin-1-yl)-5-oxopentanoate

IUPAC name

methyl 5-(4-{5-[(4-benzylpiperidin-1-yl)sulfonyl]-2-methoxyphenyl}piperazin-1-yl)-5-oxopentanoate

SMILES

COC(CCCC(N(CC1)CCN1c(cc(cc1)S(N2CCC(Cc3ccccc3)CC2)(=O)=O)c1OC)=O)=O

InChI

InChI=1S/C29H39N3O6S/c1-37-27-12-11-25(39(35,36)32-15-13-24(14-16-32)21-23-7-4-3-5-8-23)22-26(27)30-17-19-31(20-18-30)28(33)9-6-10-29(34)38-2/h3-5,7-8,11-12,22,24H,6,9-10,13-21H2,1-2H3

InChI Key

PZAJASCFKXXFSF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19950374

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

557.71

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.142

Distribution Coefficient, logD

4.142

Water Solubility, LogSw

-4.39

Polar Surface Area

79.239

Acid Dissociation Constant (pKa)

22.30

Base Dissociation Constant (pKb)

4.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

51.70

References: we are preparing a list of scientific research reports with V012-9555 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V012-9555?
Check Price and Availability of V012-9555, 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 V012-9555 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V012-9555
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V012-9555
  • 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 V012-9555 available by request