0605-0008 Screening compound: (E)-1-[4-(octyloxy)phenyl]-N-[4-({4'-[2-(4'-{4-[(E)-{[4-(octyloxy)phenyl]methylidene}amino]phenoxy}-[1,1'-biphenyl]-4-yl)propan-2-yl]-[1,1'-biphenyl]-4-yl}oxy)phenyl]methanimine

0605-0008 Screening compound: (E)-1-[4-(octyloxy)phenyl]-N-[4-({4'-[2-(4'-{4-[(E)-{[4-(octyloxy)phenyl]methylidene}amino]phenoxy}-[1,1'-biphenyl]-4-yl)propan-2-yl]-[1,1'-biphenyl]-4-yl}oxy)phenyl]methanimine
0605-0008 Screening compound: (E)-1-[4-(octyloxy)phenyl]-N-[4-({4'-[2-(4'-{4-[(E)-{[4-(octyloxy)phenyl]methylidene}amino]phenoxy}-[1,1'-biphenyl]-4-yl)propan-2-yl]-[1,1'-biphenyl]-4-yl}oxy)phenyl]methanimine alternative view

Chemical Structure Depiction of ChemDiv screening compound 0605-0008
(E)-1-[4-(octyloxy)phenyl]-N-[4-({4'-[2-(4'-{4-[(E)-{[4-(octyloxy)phenyl]methylidene}amino]phenoxy}-[1,1'-biphenyl]-4-yl)propan-2-yl]-[1,1'-biphenyl]-4-yl}oxy)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

0605-0008

Molecular Formula

C69H74N2O4 (C69 H74 N2 O4)

Compound Name

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

IUPAC name

(E)-1-[4-(octyloxy)phenyl]-N-[4-({4'-[2-(4'-{4-[(E)-{[4-(octyloxy)phenyl]methylidene}amino]phenoxy}-[11'-biphenyl]-4-yl)propan-2-yl]-[11'-biphenyl]-4-yl}oxy)phenyl]methanimine

SMILES

CCCCCCCCOc1ccc(/C=N/c(cc2)ccc2Oc(cc2)ccc2-c2ccc(C(C)(C)c(cc3)ccc3-c(cc3)ccc3Oc(cc3)ccc3/N=C/c(cc3)ccc3OCCCCCCCC)cc2)cc1

InChI

InChI=1S/C69H74N2O4/c1-5-7-9-11-13-15-49-72-63-37-17-53(18-38-63)51-70-61-33-45-67(46-34-61)74-65-41-25-57(26-42-65)55-21-29-59(30-22-55)69(3,4)60-31-23-56(24-32-60)58-27-43-66(44-28-58)75-68-47-35-62(36-48-68)71-52-54-19-39-64(40-20-54)73-50-16-14-12-10-8-6-2/h17-48,51-52H,5-16,49-50H2,1-4H3

InChI Key

WSOPIGZETDTKMJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00805656

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

995.36

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

28.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

20.583

Distribution Coefficient, logD

20.583

Water Solubility, LogSw

-5.91

Polar Surface Area

44.010

Acid Dissociation Constant (pKa)

27.86

Base Dissociation Constant (pKb)

3.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.50

0605-0008 in Drug Discovery

Included in Screening Libraries

MCL1 Targeted Library (12200 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic

References: we are preparing a list of scientific research reports with 0605-0008 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0605-0008?
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What is the minimum amount of 0605-0008 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0605-0008
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0605-0008
  • 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 0605-0008 available by request