K206-0114 Screening compound: 4-[1-{[(E)-2-(2-chlorobenzoyl)hydrazono]methyl}-16,18-dioxo-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2(7),3,5,9(14),10,12-hexaen-17-yl]phenyl acetate

K206-0114 Screening compound: 4-[1-{[(E)-2-(2-chlorobenzoyl)hydrazono]methyl}-16,18-dioxo-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2(7),3,5,9(14),10,12-hexaen-17-yl]phenyl acetate
K206-0114 Screening compound: 4-[1-{[(E)-2-(2-chlorobenzoyl)hydrazono]methyl}-16,18-dioxo-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2(7),3,5,9(14),10,12-hexaen-17-yl]phenyl acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound K206-0114
4-[1-{[(E)-2-(2-chlorobenzoyl)hydrazono]methyl}-16,18-dioxo-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2(7),3,5,9(14),10,12-hexaen-17-yl]phenyl acetate

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

K206-0114

Molecular Formula

C34H24ClN3O5 (C34 H24 ClN3 O5)

Compound Name

4-[1-{[(E)-2-(2-chlorobenzoyl)hydrazono]methyl}-16,18-dioxo-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2(7),3,5,9(14),10,12-hexaen-17-yl]phenyl acetate

IUPAC name

4-{1-[(E)-{[(2-chlorophenyl)formamido]imino}methyl]-1618-dioxo-17-azapentacyclo[6.6.5.0^{27}.0^{914}.0^{1519}]nonadeca-2(7)359(14)1012-hexaen-17-yl}phenyl acetate

SMILES

CC(Oc(cc1)ccc1N(C(C(C1C2(/C=N/NC(c(cccc3)c3Cl)=O)c3c4cccc3)C4c3c2cccc3)=O)C1=O)=O

InChI

InChI=1S/C34H24ClN3O5/c1-19(39)43-21-16-14-20(15-17-21)38-32(41)29-28-22-8-2-5-11-25(22)34(30(29)33(38)42,26-12-6-3-9-23(26)28)18-36-37-31(40)24-10-4-7-13-27(24)35/h2-18,28-30H,1H3,(H,37,40)

InChI Key

VRESEZXBDHULQI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01930653

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

590.03

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.605

Distribution Coefficient, logD

4.603

Water Solubility, LogSw

-4.75

Polar Surface Area

84.516

Acid Dissociation Constant (pKa)

9.63

Base Dissociation Constant (pKb)

-2.39

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

14.70

References: we are preparing a list of scientific research reports with K206-0114 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K206-0114?
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What is the minimum amount of K206-0114 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K206-0114
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K206-0114
  • 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 K206-0114 available by request