V005-9057 Screening compound: 2-(4-{2-methoxy-5-[(3-methylpiperidin-1-yl)sulfonyl]phenyl}piperazin-1-yl)-2-oxo-1-phenylethyl acetate

V005-9057 Screening compound: 2-(4-{2-methoxy-5-[(3-methylpiperidin-1-yl)sulfonyl]phenyl}piperazin-1-yl)-2-oxo-1-phenylethyl acetate
V005-9057 Screening compound: 2-(4-{2-methoxy-5-[(3-methylpiperidin-1-yl)sulfonyl]phenyl}piperazin-1-yl)-2-oxo-1-phenylethyl acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound V005-9057
2-(4-{2-methoxy-5-[(3-methylpiperidin-1-yl)sulfonyl]phenyl}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

V005-9057

Molecular Formula

C27H35N3O6S (C27 H35 N3 O6 S)

Compound Name

2-(4-{2-methoxy-5-[(3-methylpiperidin-1-yl)sulfonyl]phenyl}piperazin-1-yl)-2-oxo-1-phenylethyl acetate

IUPAC name

2-(4-{2-methoxy-5-[(3-methylpiperidin-1-yl)sulfonyl]phenyl}piperazin-1-yl)-2-oxo-1-phenylethyl acetate

SMILES

CC(CCC1)CN1S(c(cc1)cc(N(CC2)CCN2C(C(c2ccccc2)OC(C)=O)=O)c1OC)(=O)=O

InChI

InChI=1S/C27H35N3O6S/c1-20-8-7-13-30(19-20)37(33,34)23-11-12-25(35-3)24(18-23)28-14-16-29(17-15-28)27(32)26(36-21(2)31)22-9-5-4-6-10-22/h4-6,9-12,18,20,26H,7-8,13-17,19H2,1-3H3

InChI Key

GIXRUZUNMCDSBN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19950297

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

529.66

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.715

Distribution Coefficient, logD

3.715

Water Solubility, LogSw

-4.07

Polar Surface Area

79.628

Acid Dissociation Constant (pKa)

22.91

Base Dissociation Constant (pKb)

2.89

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

48.10

V005-9057 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 V005-9057 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V005-9057?
Check Price and Availability of V005-9057, 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 V005-9057 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V005-9057
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V005-9057
  • 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 V005-9057 available by request