K087-0509 Screening compound: 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)-2-(4-fluorophenyl)acetohydrazide

K087-0509 Screening compound: 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)-2-(4-fluorophenyl)acetohydrazide
K087-0509 Screening compound: 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)-2-(4-fluorophenyl)acetohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound K087-0509
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)-2-(4-fluorophenyl)acetohydrazide

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

K087-0509

Molecular Formula

C29H31FN4O3 (C29 H31 FN4 O3)

Compound Name

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)-2-(4-fluorophenyl)acetohydrazide

IUPAC name

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

SMILES

CCOc1c(CN(CC(C2)CN34)CC2C4=CC=CC3=O)cc(/C=N/NC(Cc(cc2)ccc2F)=O)cc1

InChI

InChI=1S/C29H31FN4O3/c1-2-37-27-11-8-21(15-31-32-28(35)14-20-6-9-25(30)10-7-20)12-24(27)19-33-16-22-13-23(18-33)26-4-3-5-29(36)34(26)17-22/h3-12,15,22-23H,2,13-14,16-19H2,1H3,(H,32,35)

InChI Key

KYFZRBXNPNQIFW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01837642

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

502.59

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

4.120

Distribution Coefficient, logD

3.709

Water Solubility, LogSw

-4.20

Polar Surface Area

61.983

Acid Dissociation Constant (pKa)

10.71

Base Dissociation Constant (pKb)

7.60

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

34.50

References: we are preparing a list of scientific research reports with K087-0509 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of K087-0509 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K087-0509
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K087-0509
  • 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 K087-0509 available by request