1688-0107 Screening compound: 2-[(E)-[(5-bromo-3-chloro-2-hydroxyphenyl)methylidene]amino]-4-tert-butyl-6-chlorophenol

1688-0107 Screening compound: 2-[(E)-[(5-bromo-3-chloro-2-hydroxyphenyl)methylidene]amino]-4-tert-butyl-6-chlorophenol
1688-0107 Screening compound: 2-[(E)-[(5-bromo-3-chloro-2-hydroxyphenyl)methylidene]amino]-4-tert-butyl-6-chlorophenol alternative view

Chemical Structure Depiction of ChemDiv screening compound 1688-0107
2-[(E)-[(5-bromo-3-chloro-2-hydroxyphenyl)methylidene]amino]-4-tert-butyl-6-chlorophenol

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

1688-0107

Molecular Formula

C17H16BrCl2NO2 (C17 H16 BrCl2 NO2)

Compound Name

2-[(E)-[(5-bromo-3-chloro-2-hydroxyphenyl)methylidene]amino]-4-tert-butyl-6-chlorophenol

IUPAC name

2-[(E)-[(5-bromo-3-chloro-2-hydroxyphenyl)methylidene]amino]-4-tert-butyl-6-chlorophenol

SMILES

CC(C)(C)c(cc1Cl)cc(/N=C/c2cc(Br)cc(Cl)c2O)c1O

InChI

InChI=1S/C17H16BrCl2NO2/c1-17(2,3)10-5-12(19)16(23)14(6-10)21-8-9-4-11(18)7-13(20)15(9)22/h4-8,22-23H,1-3H3

InChI Key

VVOFNKQOIXMKEK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01040411

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

417.13

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

7.028

Distribution Coefficient, logD

5.812

Water Solubility, LogSw

-6.27

Polar Surface Area

38.626

Acid Dissociation Constant (pKa)

6.21

Base Dissociation Constant (pKb)

2.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.50

References: we are preparing a list of scientific research reports with 1688-0107 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1688-0107?
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What is the minimum amount of 1688-0107 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1688-0107
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1688-0107
  • 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 1688-0107 available by request