0490-5694 Screening compound: 4-(5-octylpyrimidin-2-yl)phenyl decanoate

0490-5694 Screening compound: 4-(5-octylpyrimidin-2-yl)phenyl decanoate
0490-5694 Screening compound: 4-(5-octylpyrimidin-2-yl)phenyl decanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 0490-5694
4-(5-octylpyrimidin-2-yl)phenyl decanoate

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

0490-5694

Molecular Formula

C28H42N2O2 (C28 H42 N2 O2)

Compound Name

4-(5-octylpyrimidin-2-yl)phenyl decanoate

IUPAC name

4-(5-octylpyrimidin-2-yl)phenyl decanoate

SMILES

CCCCCCCCCC(Oc(cc1)ccc1-c1ncc(CCCCCCCC)cn1)=O

InChI

InChI=1S/C28H42N2O2/c1-3-5-7-9-11-13-15-17-27(31)32-26-20-18-25(19-21-26)28-29-22-24(23-30-28)16-14-12-10-8-6-4-2/h18-23H,3-17H2,1-2H3

InChI Key

BNYDKDMFTOSVQL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00799390

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

438.65

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

18.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

9.655

Distribution Coefficient, logD

9.655

Water Solubility, LogSw

-5.69

Polar Surface Area

39.636

Acid Dissociation Constant (pKa)

21.09

Base Dissociation Constant (pKb)

2.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

60.70

0490-5694 in Drug Discovery

Included in Screening Libraries

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:
  • 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 0490-5694 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0490-5694?
Check Price and Availability of 0490-5694, 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 0490-5694 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0490-5694
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0490-5694
  • 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 0490-5694 available by request