V007-1531 Screening compound: 5-[(4-tert-butylphenyl)methoxy]-2-({4-[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyl]piperazin-1-yl}methyl)-4H-pyran-4-one

V007-1531 Screening compound: 5-[(4-tert-butylphenyl)methoxy]-2-({4-[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyl]piperazin-1-yl}methyl)-4H-pyran-4-one
V007-1531 Screening compound: 5-[(4-tert-butylphenyl)methoxy]-2-({4-[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyl]piperazin-1-yl}methyl)-4H-pyran-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound V007-1531
5-[(4-tert-butylphenyl)methoxy]-2-({4-[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyl]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

V007-1531

Molecular Formula

C39H56N2O4 (C39 H56 N2 O4)

Compound Name

5-[(4-tert-butylphenyl)methoxy]-2-({4-[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyl]piperazin-1-yl}methyl)-4H-pyran-4-one

IUPAC name

5-[(4-tert-butylphenyl)methoxy]-2-({4-[(6Z9Z12Z)-octadeca-6912-trienoyl]piperazin-1-yl}methyl)-4H-pyran-4-one

SMILES

CCCCC/C=C\C/C=C\C/C=C\CCCCC(N1CCN(CC(OC=C2OCc3ccc(C(C)(C)C)cc3)=CC2=O)CC1)=O

InChI

InChI=1S/C39H56N2O4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-38(43)41-27-25-40(26-28-41)30-35-29-36(42)37(32-44-35)45-31-33-21-23-34(24-22-33)39(2,3)4/h9-10,12-13,15-16,21-24,29,32H,5-8,11,14,17-20,25-28,30-31H2,1-4H3

InChI Key

PZCLDXCTKYHMIG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19966283

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

616.88

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

20.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

9.417

Distribution Coefficient, logD

9.416

Water Solubility, LogSw

-5.58

Polar Surface Area

50.083

Acid Dissociation Constant (pKa)

24.17

Base Dissociation Constant (pKb)

4.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

53.80

V007-1531 in Drug Discovery

Included in Screening Libraries

Lipid Metabolism Library (9174 compounds)

MCL1 Targeted Library (12200 compounds)

Regenerative Medicine Focused Library (23016 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Metabolic
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with V007-1531 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V007-1531?
Check Price and Availability of V007-1531, 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 V007-1531 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V007-1531
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V007-1531
  • 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 V007-1531 available by request