K066-0035 Screening compound: (Z)-1-(4-bromothiophen-2-yl)-N-(2,3,5,6,8,9,11,12-octahydro-1,4,7,10,13-benzopentaoxacyclopentadecin-15-yl)methanimine

K066-0035 Screening compound: (Z)-1-(4-bromothiophen-2-yl)-N-(2,3,5,6,8,9,11,12-octahydro-1,4,7,10,13-benzopentaoxacyclopentadecin-15-yl)methanimine
K066-0035 Screening compound: (Z)-1-(4-bromothiophen-2-yl)-N-(2,3,5,6,8,9,11,12-octahydro-1,4,7,10,13-benzopentaoxacyclopentadecin-15-yl)methanimine alternative view

Chemical Structure Depiction of ChemDiv screening compound K066-0035
(Z)-1-(4-bromothiophen-2-yl)-N-(2,3,5,6,8,9,11,12-octahydro-1,4,7,10,13-benzopentaoxacyclopentadecin-15-yl)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

K066-0035

Molecular Formula

C19H22BrNO5S (C19 H22 BrNO5 S)

Compound Name

(Z)-1-(4-bromothiophen-2-yl)-N-(2,3,5,6,8,9,11,12-octahydro-1,4,7,10,13-benzopentaoxacyclopentadecin-15-yl)methanimine

IUPAC name

(Z)-1-(4-bromothiophen-2-yl)-N-(2356891112-octahydro-1471013-benzopentaoxacyclopentadecin-15-yl)methanimine

SMILES

Brc1csc(/C=N\c(cc2)cc3c2OCCOCCOCCOCCO3)c1

InChI

InChI=1S/C19H22BrNO5S/c20-15-11-17(27-14-15)13-21-16-1-2-18-19(12-16)26-10-8-24-6-4-22-3-5-23-7-9-25-18/h1-2,11-14H,3-10H2

InChI Key

FTBNHEIPQICYQB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01843451

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

456.36

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.579

Distribution Coefficient, logD

2.579

Water Solubility, LogSw

-2.80

Polar Surface Area

49.264

Acid Dissociation Constant (pKa)

28.63

Base Dissociation Constant (pKb)

3.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.10

K066-0035 in Drug Discovery

Included in Screening Libraries

Human Transcription Factors Annotated Library (5098 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with K066-0035 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K066-0035?
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What is the minimum amount of K066-0035 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K066-0035
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K066-0035
  • 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 K066-0035 available by request