K048-0004 Screening compound: 3-chloro-N'-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylidene]-1-benzothiophene-2-carbohydrazide

K048-0004 Screening compound: 3-chloro-N'-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylidene]-1-benzothiophene-2-carbohydrazide
K048-0004 Screening compound: 3-chloro-N'-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylidene]-1-benzothiophene-2-carbohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound K048-0004
3-chloro-N'-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylidene]-1-benzothiophene-2-carbohydrazide

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

K048-0004

Molecular Formula

C16H9Br2ClN2O2S (C16 H9 Br2 ClN2 O2 S)

Compound Name

3-chloro-N'-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylidene]-1-benzothiophene-2-carbohydrazide

IUPAC name

3-chloro-N'-[(E)-(35-dibromo-2-hydroxyphenyl)methylidene]-1-benzothiophene-2-carbohydrazide

SMILES

Oc(c(/C=N/NC(c(sc1c2cccc1)c2Cl)=O)cc(Br)c1)c1Br

InChI

InChI=1S/C16H9Br2ClN2O2S/c17-9-5-8(14(22)11(18)6-9)7-20-21-16(23)15-13(19)10-3-1-2-4-12(10)24-15/h1-7,22H,(H,21,23)

InChI Key

GDNQMQCDGCZWCF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01248510

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

488.59

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.294

Distribution Coefficient, logD

5.661

Water Solubility, LogSw

-5.85

Polar Surface Area

51.780

Acid Dissociation Constant (pKa)

6.88

Base Dissociation Constant (pKb)

1.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

K048-0004 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with K048-0004 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K048-0004?
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What is the minimum amount of K048-0004 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K048-0004
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K048-0004
  • 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 K048-0004 available by request