V009-0312 Screening compound: 5-[(4-tert-butylphenyl)methoxy]-2-{[4-(4-propylbenzenesulfonyl)piperazin-1-yl]methyl}-4H-pyran-4-one

V009-0312 Screening compound: 5-[(4-tert-butylphenyl)methoxy]-2-{[4-(4-propylbenzenesulfonyl)piperazin-1-yl]methyl}-4H-pyran-4-one
V009-0312 Screening compound: 5-[(4-tert-butylphenyl)methoxy]-2-{[4-(4-propylbenzenesulfonyl)piperazin-1-yl]methyl}-4H-pyran-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound V009-0312
5-[(4-tert-butylphenyl)methoxy]-2-{[4-(4-propylbenzenesulfonyl)piperazin-1-yl]methyl}-4H-pyran-4-one

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

V009-0312

Molecular Formula

C30H38N2O5S (C30 H38 N2 O5 S)

Compound Name

5-[(4-tert-butylphenyl)methoxy]-2-{[4-(4-propylbenzenesulfonyl)piperazin-1-yl]methyl}-4H-pyran-4-one

IUPAC name

5-[(4-tert-butylphenyl)methoxy]-2-{[4-(4-propylbenzenesulfonyl)piperazin-1-yl]methyl}-4H-pyran-4-one

SMILES

CCCc(cc1)ccc1S(N1CCN(CC(OC=C2OCc3ccc(C(C)(C)C)cc3)=CC2=O)CC1)(=O)=O

InChI

InChI=1S/C30H38N2O5S/c1-5-6-23-9-13-27(14-10-23)38(34,35)32-17-15-31(16-18-32)20-26-19-28(33)29(22-36-26)37-21-24-7-11-25(12-8-24)30(2,3)4/h7-14,19,22H,5-6,15-18,20-21H2,1-4H3

InChI Key

PGBZUBATHKCIMH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19966122

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

538.71

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

5.858

Distribution Coefficient, logD

5.858

Water Solubility, LogSw

-5.45

Polar Surface Area

65.402

Acid Dissociation Constant (pKa)

26.80

Base Dissociation Constant (pKb)

3.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

43.30

V009-0312 in Drug Discovery

Included in Screening Libraries

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with V009-0312 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V009-0312?
Check Price and Availability of V009-0312, 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 V009-0312 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V009-0312
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V009-0312
  • 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 V009-0312 available by request