8006-5248 Screening compound: 2-cyano-4-(4-{1,4,4-tris[4-(3,4-dicyanophenoxy)phenyl]cyclohexyl}phenoxy)phenyl cyanide

8006-5248 Screening compound: 2-cyano-4-(4-{1,4,4-tris[4-(3,4-dicyanophenoxy)phenyl]cyclohexyl}phenoxy)phenyl cyanide
8006-5248 Screening compound: 2-cyano-4-(4-{1,4,4-tris[4-(3,4-dicyanophenoxy)phenyl]cyclohexyl}phenoxy)phenyl cyanide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8006-5248
2-cyano-4-(4-{1,4,4-tris[4-(3,4-dicyanophenoxy)phenyl]cyclohexyl}phenoxy)phenyl cyanide

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

8006-5248

Molecular Formula

C62H36N8O4 (C62 H36 N8 O4)

Compound Name

2-cyano-4-(4-{1,4,4-tris[4-(3,4-dicyanophenoxy)phenyl]cyclohexyl}phenoxy)phenyl cyanide

IUPAC name

4-(4-{144-tris[4-(34-dicyanophenoxy)phenyl]cyclohexyl}phenoxy)benzene-12-dicarbonitrile

SMILES

N#Cc(ccc(Oc1ccc(C(CC2)(CCC2(c(cc2)ccc2Oc(cc2)cc(C#N)c2C#N)c(cc2)ccc2Oc(cc2)cc(C#N)c2C#N)c(cc2)ccc2Oc(cc2)cc(C#N)c2C#N)cc1)c1)c1C#N

InChI

InChI=1S/C62H36N8O4/c63-33-41-1-13-57(29-45(41)37-67)71-53-17-5-49(6-18-53)61(50-7-19-54(20-8-50)72-58-14-2-42(34-64)46(30-58)38-68)25-27-62(28-26-61,51-9-21-55(22-10-51)73-59-15-3-43(35-65)47(31-59)39-69)52-11-23-56(24-12-52)74-60-16-4-44(36-66)48(32-60)40-70/h1-24,29-32H,25-28H2

InChI Key

NSXOKMRQOCHXHB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00301826

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

957.02

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

20.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

11.860

Distribution Coefficient, logD

11.860

Water Solubility, LogSw

-6.44

Polar Surface Area

162.785

Acid Dissociation Constant (pKa)

22.71

Base Dissociation Constant (pKb)

-10.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.68

References: we are preparing a list of scientific research reports with 8006-5248 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8006-5248?
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What is the minimum amount of 8006-5248 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8006-5248
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8006-5248
  • 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 8006-5248 available by request