8001-9581 Screening compound: 2-[(E)-({2-[4-(octyloxy)phenoxy]acetamido}imino)methyl]phenyl propanoate

8001-9581 Screening compound: 2-[(E)-({2-[4-(octyloxy)phenoxy]acetamido}imino)methyl]phenyl propanoate
8001-9581 Screening compound: 2-[(E)-({2-[4-(octyloxy)phenoxy]acetamido}imino)methyl]phenyl propanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8001-9581
2-[(E)-({2-[4-(octyloxy)phenoxy]acetamido}imino)methyl]phenyl propanoate

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

8001-9581

Molecular Formula

C26H34N2O5 (C26 H34 N2 O5)

Compound Name

2-[(E)-({2-[4-(octyloxy)phenoxy]acetamido}imino)methyl]phenyl propanoate

IUPAC name

2-[(E)-({2-[4-(octyloxy)phenoxy]acetamido}imino)methyl]phenyl propanoate

SMILES

CCCCCCCCOc(cc1)ccc1OCC(N/N=C/c(cccc1)c1OC(CC)=O)=O

InChI

InChI=1S/C26H34N2O5/c1-3-5-6-7-8-11-18-31-22-14-16-23(17-15-22)32-20-25(29)28-27-19-21-12-9-10-13-24(21)33-26(30)4-2/h9-10,12-17,19H,3-8,11,18,20H2,1-2H3,(H,28,29)

InChI Key

HARPQDHLKWYRRZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00321839

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

454.57

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

17.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.615

Distribution Coefficient, logD

6.615

Water Solubility, LogSw

-5.66

Polar Surface Area

70.399

Acid Dissociation Constant (pKa)

10.32

Base Dissociation Constant (pKb)

3.97

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.30

References: we are preparing a list of scientific research reports with 8001-9581 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8001-9581?
Check Price and Availability of 8001-9581, 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 8001-9581 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8001-9581
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8001-9581
  • 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 8001-9581 available by request