K087-0519 Screening compound: 2-(2,4-dichlorophenoxy)-N'~1~-((E)-1-{4-ethoxy-3-[(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)methyl]phenyl}methylidene)propanohydrazide

K087-0519 Screening compound: 2-(2,4-dichlorophenoxy)-N'~1~-((E)-1-{4-ethoxy-3-[(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)methyl]phenyl}methylidene)propanohydrazide
K087-0519 Screening compound: 2-(2,4-dichlorophenoxy)-N'~1~-((E)-1-{4-ethoxy-3-[(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)methyl]phenyl}methylidene)propanohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound K087-0519
2-(2,4-dichlorophenoxy)-N'~1~-((E)-1-{4-ethoxy-3-[(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)methyl]phenyl}methylidene)propanohydrazide

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

K087-0519

Molecular Formula

C30H32Cl2N4O4 (C30 H32 Cl2 N4 O4)

Compound Name

2-(2,4-dichlorophenoxy)-N'~1~-((E)-1-{4-ethoxy-3-[(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)methyl]phenyl}methylidene)propanohydrazide

IUPAC name

2-(24-dichlorophenoxy)-N'-[(E)-[4-ethoxy-3-({6-oxo-711-diazatricyclo[7.3.1.0^{27}]trideca-24-dien-11-yl}methyl)phenyl]methylidene]propanehydrazide

SMILES

CCOc1c(CN(CC(C2)CN34)CC2C4=CC=CC3=O)cc(/C=N/NC(C(C)Oc(ccc(Cl)c2)c2Cl)=O)cc1

InChI

InChI=1S/C30H32Cl2N4O4/c1-3-39-27-9-7-20(14-33-34-30(38)19(2)40-28-10-8-24(31)13-25(28)32)11-23(27)18-35-15-21-12-22(17-35)26-5-4-6-29(37)36(26)16-21/h4-11,13-14,19,21-22H,3,12,15-18H2,1-2H3,(H,34,38)

InChI Key

WUBIREGQVGLNRW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01837649

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

583.51

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.988

Distribution Coefficient, logD

5.578

Water Solubility, LogSw

-6.25

Polar Surface Area

69.072

Acid Dissociation Constant (pKa)

11.03

Base Dissociation Constant (pKb)

7.60

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

36.70

References: we are preparing a list of scientific research reports with K087-0519 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of K087-0519 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K087-0519
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K087-0519
  • 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 K087-0519 available by request