K089-0112 Screening compound: 2-chloro-N'-[(E)-{3-[(6,7-dimethoxy-1-methyl-1,2,3,4-tetrahydroisoquinolin-2-yl)methyl]-4-methoxyphenyl}methylidene]benzohydrazide

K089-0112 Screening compound: 2-chloro-N'-[(E)-{3-[(6,7-dimethoxy-1-methyl-1,2,3,4-tetrahydroisoquinolin-2-yl)methyl]-4-methoxyphenyl}methylidene]benzohydrazide
K089-0112 Screening compound: 2-chloro-N'-[(E)-{3-[(6,7-dimethoxy-1-methyl-1,2,3,4-tetrahydroisoquinolin-2-yl)methyl]-4-methoxyphenyl}methylidene]benzohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound K089-0112
2-chloro-N'-[(E)-{3-[(6,7-dimethoxy-1-methyl-1,2,3,4-tetrahydroisoquinolin-2-yl)methyl]-4-methoxyphenyl}methylidene]benzohydrazide

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

K089-0112

Molecular Formula

C28H30ClN3O4 (C28 H30 ClN3 O4)

Compound Name

2-chloro-N'-[(E)-{3-[(6,7-dimethoxy-1-methyl-1,2,3,4-tetrahydroisoquinolin-2-yl)methyl]-4-methoxyphenyl}methylidene]benzohydrazide

IUPAC name

2-chloro-N'-[(E)-{3-[(67-dimethoxy-1-methyl-1234-tetrahydroisoquinolin-2-yl)methyl]-4-methoxyphenyl}methylidene]benzohydrazide

SMILES

CC1N(Cc(cc(/C=N/NC(c(cccc2)c2Cl)=O)cc2)c2OC)CCc(cc2OC)c1cc2OC

InChI

InChI=1S/C28H30ClN3O4/c1-18-23-15-27(36-4)26(35-3)14-20(23)11-12-32(18)17-21-13-19(9-10-25(21)34-2)16-30-31-28(33)22-7-5-6-8-24(22)29/h5-10,13-16,18H,11-12,17H2,1-4H3,(H,31,33)/t18-/m0/s1

InChI Key

RYCIGFYGOJIBPF-SFHVURJKSA-N

MDL Number (MFCD)

MFCD01843861

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

508.02

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.327

Distribution Coefficient, logD

3.538

Water Solubility, LogSw

-4.51

Polar Surface Area

61.181

Acid Dissociation Constant (pKa)

8.89

Base Dissociation Constant (pKb)

8.11

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.60

References: we are preparing a list of scientific research reports with K089-0112 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K089-0112?
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What is the minimum amount of K089-0112 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K089-0112
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K089-0112
  • 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 K089-0112 available by request