K089-0097 Screening compound: N'-[(E)-{3-bromo-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl}methylidene]-3,4,5-trihydroxybenzohydrazide

K089-0097 Screening compound: N'-[(E)-{3-bromo-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl}methylidene]-3,4,5-trihydroxybenzohydrazide
K089-0097 Screening compound: N'-[(E)-{3-bromo-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl}methylidene]-3,4,5-trihydroxybenzohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound K089-0097
N'-[(E)-{3-bromo-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl}methylidene]-3,4,5-trihydroxybenzohydrazide

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

K089-0097

Molecular Formula

C22H18BrClN2O6 (C22 H18 BrClN2 O6)

Compound Name

N'-[(E)-{3-bromo-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl}methylidene]-3,4,5-trihydroxybenzohydrazide

IUPAC name

N'-[(E)-{3-bromo-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl}methylidene]-345-trihydroxybenzohydrazide

SMILES

COc1cc(/C=N/NC(c(cc2O)cc(O)c2O)=O)cc(Br)c1OCc(cccc1)c1Cl

InChI

InChI=1S/C22H18BrClN2O6/c1-31-19-7-12(6-15(23)21(19)32-11-13-4-2-3-5-16(13)24)10-25-26-22(30)14-8-17(27)20(29)18(28)9-14/h2-10,27-29H,11H2,1H3,(H,26,30)

InChI Key

NGNPEAMSQLFTCG-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

521.75

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.575

Distribution Coefficient, logD

4.460

Water Solubility, LogSw

-4.48

Polar Surface Area

99.161

Acid Dissociation Constant (pKa)

7.92

Base Dissociation Constant (pKb)

0.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

K089-0097 in Drug Discovery

Included in Screening Libraries

Carbonic Anhydrase II Library (4939 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with K089-0097 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K089-0097?
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What is the minimum amount of K089-0097 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K089-0097
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K089-0097
  • 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 K089-0097 available by request