1140-0326 Screening compound: 2-bromo-6-[(E)-[(5-tert-butyl-2-hydroxyphenyl)imino]methyl]-4-chlorophenol

1140-0326 Screening compound: 2-bromo-6-[(E)-[(5-tert-butyl-2-hydroxyphenyl)imino]methyl]-4-chlorophenol
1140-0326 Screening compound: 2-bromo-6-[(E)-[(5-tert-butyl-2-hydroxyphenyl)imino]methyl]-4-chlorophenol alternative view

Chemical Structure Depiction of ChemDiv screening compound 1140-0326
2-bromo-6-[(E)-[(5-tert-butyl-2-hydroxyphenyl)imino]methyl]-4-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

1140-0326

Molecular Formula

C17H17BrClNO2 (C17 H17 BrClNO2)

Compound Name

2-bromo-6-[(E)-[(5-tert-butyl-2-hydroxyphenyl)imino]methyl]-4-chlorophenol

IUPAC name

2-bromo-6-[(E)-[(5-tert-butyl-2-hydroxyphenyl)imino]methyl]-4-chlorophenol

SMILES

CC(C)(C)c(cc1)cc(/N=C/c2cc(Cl)cc(Br)c2O)c1O

InChI

InChI=1S/C17H17BrClNO2/c1-17(2,3)11-4-5-15(21)14(7-11)20-9-10-6-12(19)8-13(18)16(10)22/h4-9,21-22H,1-3H3

InChI Key

XBUKUGMSCUTYFI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00807036

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

382.68

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

5.915

Distribution Coefficient, logD

5.313

Water Solubility, LogSw

-5.97

Polar Surface Area

39.695

Acid Dissociation Constant (pKa)

6.92

Base Dissociation Constant (pKb)

3.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.50

1140-0326 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 1140-0326 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1140-0326?
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What is the minimum amount of 1140-0326 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1140-0326
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1140-0326
  • 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 1140-0326 available by request