3357-0571 Screening compound: 2-[(E)-({1-[(4-chlorophenyl)methyl]-1H-1,3-benzodiazol-2-yl}imino)methyl]phenol

3357-0571 Screening compound: 2-[(E)-({1-[(4-chlorophenyl)methyl]-1H-1,3-benzodiazol-2-yl}imino)methyl]phenol
3357-0571 Screening compound: 2-[(E)-({1-[(4-chlorophenyl)methyl]-1H-1,3-benzodiazol-2-yl}imino)methyl]phenol alternative view

Chemical Structure Depiction of ChemDiv screening compound 3357-0571
2-[(E)-({1-[(4-chlorophenyl)methyl]-1H-1,3-benzodiazol-2-yl}imino)methyl]phenol

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

3357-0571

Molecular Formula

C21H16ClN3O (C21 H16 ClN3 O)

Compound Name

2-[(E)-({1-[(4-chlorophenyl)methyl]-1H-1,3-benzodiazol-2-yl}imino)methyl]phenol

IUPAC name

2-[(E)-({1-[(4-chlorophenyl)methyl]-1H-13-benzodiazol-2-yl}imino)methyl]phenol

SMILES

Oc1c(/C=N/c2nc(cccc3)c3n2Cc(cc2)ccc2Cl)cccc1

InChI

InChI=1S/C21H16ClN3O/c22-17-11-9-15(10-12-17)14-25-19-7-3-2-6-18(19)24-21(25)23-13-16-5-1-4-8-20(16)26/h1-13,26H,14H2

InChI Key

ZGQPWHPMZNDBER-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01238889

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

361.83

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.743

Distribution Coefficient, logD

5.741

Water Solubility, LogSw

-5.96

Polar Surface Area

36.750

Acid Dissociation Constant (pKa)

9.80

Base Dissociation Constant (pKb)

0.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.80

3357-0571 in Drug Discovery

Included in Screening Libraries

Covalent Inhibitors Library (7986 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with 3357-0571 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3357-0571?
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What is the minimum amount of 3357-0571 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3357-0571
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3357-0571
  • 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 3357-0571 available by request