8004-4195 Screening compound: 2-[(E)-{[2-(4-tert-butylphenyl)-1,3-benzoxazol-6-yl]imino}methyl]-4-chloro-6-iodophenol

8004-4195 Screening compound: 2-[(E)-{[2-(4-tert-butylphenyl)-1,3-benzoxazol-6-yl]imino}methyl]-4-chloro-6-iodophenol
8004-4195 Screening compound: 2-[(E)-{[2-(4-tert-butylphenyl)-1,3-benzoxazol-6-yl]imino}methyl]-4-chloro-6-iodophenol alternative view

Chemical Structure Depiction of ChemDiv screening compound 8004-4195
2-[(E)-{[2-(4-tert-butylphenyl)-1,3-benzoxazol-6-yl]imino}methyl]-4-chloro-6-iodophenol

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

8004-4195

Molecular Formula

C24H20ClIN2O2 (C24 H20 ClIN2 O2)

Compound Name

2-[(E)-{[2-(4-tert-butylphenyl)-1,3-benzoxazol-6-yl]imino}methyl]-4-chloro-6-iodophenol

IUPAC name

2-[(E)-{[2-(4-tert-butylphenyl)-13-benzoxazol-6-yl]imino}methyl]-4-chloro-6-iodophenol

SMILES

CC(C)(C)c(cc1)ccc1-c1nc(ccc(/N=C/c2cc(Cl)cc(I)c2O)c2)c2o1

InChI

InChI=1S/C24H20ClIN2O2/c1-24(2,3)16-6-4-14(5-7-16)23-28-20-9-8-18(12-21(20)30-23)27-13-15-10-17(25)11-19(26)22(15)29/h4-13,29H,1-3H3

InChI Key

NMCVLVYJRJDZJU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00788020

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

530.79

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

8.065

Distribution Coefficient, logD

7.452

Water Solubility, LogSw

-6.28

Polar Surface Area

40.655

Acid Dissociation Constant (pKa)

6.91

Base Dissociation Constant (pKb)

3.90

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

References: we are preparing a list of scientific research reports with 8004-4195 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8004-4195?
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What is the minimum amount of 8004-4195 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8004-4195
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8004-4195
  • 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 8004-4195 available by request