0605-0004 Screening compound: (E)-1-[4-(octyloxy)phenyl]-N-(4-{4-[2-(4-{4-[(E)-{[4-(octyloxy)phenyl]methylidene}amino]phenoxy}phenyl)propan-2-yl]phenoxy}phenyl)methanimine

0605-0004 Screening compound: (E)-1-[4-(octyloxy)phenyl]-N-(4-{4-[2-(4-{4-[(E)-{[4-(octyloxy)phenyl]methylidene}amino]phenoxy}phenyl)propan-2-yl]phenoxy}phenyl)methanimine
0605-0004 Screening compound: (E)-1-[4-(octyloxy)phenyl]-N-(4-{4-[2-(4-{4-[(E)-{[4-(octyloxy)phenyl]methylidene}amino]phenoxy}phenyl)propan-2-yl]phenoxy}phenyl)methanimine alternative view

Chemical Structure Depiction of ChemDiv screening compound 0605-0004
(E)-1-[4-(octyloxy)phenyl]-N-(4-{4-[2-(4-{4-[(E)-{[4-(octyloxy)phenyl]methylidene}amino]phenoxy}phenyl)propan-2-yl]phenoxy}phenyl)methanimine

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

0605-0004

Molecular Formula

C57H66N2O4 (C57 H66 N2 O4)

Compound Name

(E)-1-[4-(octyloxy)phenyl]-N-(4-{4-[2-(4-{4-[(E)-{[4-(octyloxy)phenyl]methylidene}amino]phenoxy}phenyl)propan-2-yl]phenoxy}phenyl)methanimine

IUPAC name

(E)-1-[4-(octyloxy)phenyl]-N-(4-{4-[2-(4-{4-[(E)-{[4-(octyloxy)phenyl]methylidene}amino]phenoxy}phenyl)propan-2-yl]phenoxy}phenyl)methanimine

SMILES

CCCCCCCCOc1ccc(/C=N/c(cc2)ccc2Oc2ccc(C(C)(C)c(cc3)ccc3Oc(cc3)ccc3/N=C/c(cc3)ccc3OCCCCCCCC)cc2)cc1

InChI

InChI=1S/C57H66N2O4/c1-5-7-9-11-13-15-41-60-51-29-17-45(18-30-51)43-58-49-25-37-55(38-26-49)62-53-33-21-47(22-34-53)57(3,4)48-23-35-54(36-24-48)63-56-39-27-50(28-40-56)59-44-46-19-31-52(32-20-46)61-42-16-14-12-10-8-6-2/h17-40,43-44H,5-16,41-42H2,1-4H3

InChI Key

PVEYYULETBCJHM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00805652

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

843.16

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

26.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

16.936

Distribution Coefficient, logD

16.936

Water Solubility, LogSw

-5.93

Polar Surface Area

44.553

Acid Dissociation Constant (pKa)

27.86

Base Dissociation Constant (pKb)

3.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

0605-0004 in Drug Discovery

Included in Screening Libraries

MCL1 Targeted Library (12200 compounds)

Regenerative Medicine Focused Library (23016 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

References: we are preparing a list of scientific research reports with 0605-0004 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0605-0004?
Check Price and Availability of 0605-0004, 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 0605-0004 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0605-0004
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0605-0004
  • 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 0605-0004 available by request