8004-0985 Screening compound: 2,2'-{(3,3'-dimethylbiphenyl-4,4'-diyl)bis[nitrilo({E})methylylidene]}bis(6-iodo-4-methylphenol)

8004-0985 Screening compound: 2,2'-{(3,3'-dimethylbiphenyl-4,4'-diyl)bis[nitrilo({E})methylylidene]}bis(6-iodo-4-methylphenol)
8004-0985 Screening compound: 2,2'-{(3,3'-dimethylbiphenyl-4,4'-diyl)bis[nitrilo({E})methylylidene]}bis(6-iodo-4-methylphenol) alternative view

Chemical Structure Depiction of ChemDiv screening compound 8004-0985
2,2'-{(3,3'-dimethylbiphenyl-4,4'-diyl)bis[nitrilo({E})methylylidene]}bis(6-iodo-4-methylphenol)

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

8004-0985

Molecular Formula

C30H26I2N2O2 (C30 H26 I2 N2 O2)

Compound Name

2,2'-{(3,3'-dimethylbiphenyl-4,4'-diyl)bis[nitrilo({E})methylylidene]}bis(6-iodo-4-methylphenol)

IUPAC name

2-[(E)-({4'-[(E)-[(2-hydroxy-3-iodo-5-methylphenyl)methylidene]amino]-33'-dimethyl-[11'-biphenyl]-4-yl}imino)methyl]-6-iodo-4-methylphenol

SMILES

Cc(cc1I)cc(/C=N/c(cc2)c(C)cc2-c(cc2)cc(C)c2/N=C/c2cc(C)cc(I)c2O)c1O

InChI

InChI=1S/C30H26I2N2O2/c1-17-9-23(29(35)25(31)11-17)15-33-27-7-5-21(13-19(27)3)22-6-8-28(20(4)14-22)34-16-24-10-18(2)12-26(32)30(24)36/h5-16,35-36H,1-4H3

InChI Key

KNITWNKYFNBLPE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00313755

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

700.36

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

10.122

Distribution Coefficient, logD

9.936

Water Solubility, LogSw

-5.77

Polar Surface Area

45.784

Acid Dissociation Constant (pKa)

7.68

Base Dissociation Constant (pKb)

5.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.33

References: we are preparing a list of scientific research reports with 8004-0985 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8004-0985?
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What is the minimum amount of 8004-0985 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8004-0985
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8004-0985
  • 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 8004-0985 available by request