3357-0559 Screening compound: (E)-N-{1-[(4-tert-butylphenyl)methyl]-1H-1,3-benzodiazol-2-yl}-1-(2-chlorophenyl)methanimine

3357-0559 Screening compound: (E)-N-{1-[(4-tert-butylphenyl)methyl]-1H-1,3-benzodiazol-2-yl}-1-(2-chlorophenyl)methanimine
3357-0559 Screening compound: (E)-N-{1-[(4-tert-butylphenyl)methyl]-1H-1,3-benzodiazol-2-yl}-1-(2-chlorophenyl)methanimine alternative view

Chemical Structure Depiction of ChemDiv screening compound 3357-0559
(E)-N-{1-[(4-tert-butylphenyl)methyl]-1H-1,3-benzodiazol-2-yl}-1-(2-chlorophenyl)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

3357-0559

Molecular Formula

C25H24ClN3 (C25 H24 ClN3)

Compound Name

(E)-N-{1-[(4-tert-butylphenyl)methyl]-1H-1,3-benzodiazol-2-yl}-1-(2-chlorophenyl)methanimine

IUPAC name

(E)-N-{1-[(4-tert-butylphenyl)methyl]-1H-13-benzodiazol-2-yl}-1-(2-chlorophenyl)methanimine

SMILES

CC(C)(C)c1ccc(Cn2c(/N=C/c(cccc3)c3Cl)nc3c2cccc3)cc1

InChI

InChI=1S/C25H24ClN3/c1-25(2,3)20-14-12-18(13-15-20)17-29-23-11-7-6-10-22(23)28-24(29)27-16-19-8-4-5-9-21(19)26/h4-16H,17H2,1-3H3

InChI Key

PJGMCVIJEUZZJF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01238311

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

401.94

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

7.680

Distribution Coefficient, logD

7.680

Water Solubility, LogSw

-6.70

Polar Surface Area

20.202

Acid Dissociation Constant (pKa)

22.97

Base Dissociation Constant (pKb)

0.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

References: we are preparing a list of scientific research reports with 3357-0559 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3357-0559?
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What is the minimum amount of 3357-0559 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3357-0559
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3357-0559
  • 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 3357-0559 available by request