1688-0121 Screening compound: 2-[(E)-[(5-tert-butyl-3-chloro-2-hydroxyphenyl)imino]methyl]-4-chloro-3,5-dimethylphenol

1688-0121 Screening compound: 2-[(E)-[(5-tert-butyl-3-chloro-2-hydroxyphenyl)imino]methyl]-4-chloro-3,5-dimethylphenol
1688-0121 Screening compound: 2-[(E)-[(5-tert-butyl-3-chloro-2-hydroxyphenyl)imino]methyl]-4-chloro-3,5-dimethylphenol alternative view

Chemical Structure Depiction of ChemDiv screening compound 1688-0121
2-[(E)-[(5-tert-butyl-3-chloro-2-hydroxyphenyl)imino]methyl]-4-chloro-3,5-dimethylphenol

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

1688-0121

Molecular Formula

C19H21Cl2NO2 (C19 H21 Cl2 NO2)

Compound Name

2-[(E)-[(5-tert-butyl-3-chloro-2-hydroxyphenyl)imino]methyl]-4-chloro-3,5-dimethylphenol

IUPAC name

2-[(E)-[(5-tert-butyl-3-chloro-2-hydroxyphenyl)imino]methyl]-4-chloro-35-dimethylphenol

SMILES

CC(C)(C)c(cc1Cl)cc(/N=C/c(c(C)c(c(C)c2)Cl)c2O)c1O

InChI

InChI=1S/C19H21Cl2NO2/c1-10-6-16(23)13(11(2)17(10)21)9-22-15-8-12(19(3,4)5)7-14(20)18(15)24/h6-9,23-24H,1-5H3

InChI Key

YANGOLRUZAKGHA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01040425

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

366.29

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

6.491

Distribution Coefficient, logD

5.275

Water Solubility, LogSw

-6.22

Polar Surface Area

39.695

Acid Dissociation Constant (pKa)

6.21

Base Dissociation Constant (pKb)

3.47

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.60

1688-0121 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 1688-0121 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1688-0121?
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What is the minimum amount of 1688-0121 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1688-0121
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1688-0121
  • 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 1688-0121 available by request