K617-0014 Screening compound: N~1~-{(Z)-2-[4-(benzyloxy)phenyl]-1-[(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)carbonyl]-1-ethenyl}-4-fluorobenzamide

K617-0014 Screening compound: N~1~-{(Z)-2-[4-(benzyloxy)phenyl]-1-[(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)carbonyl]-1-ethenyl}-4-fluorobenzamide
K617-0014 Screening compound: N~1~-{(Z)-2-[4-(benzyloxy)phenyl]-1-[(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)carbonyl]-1-ethenyl}-4-fluorobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K617-0014
N~1~-{(Z)-2-[4-(benzyloxy)phenyl]-1-[(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)carbonyl]-1-ethenyl}-4-fluorobenzamide

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

K617-0014

Molecular Formula

C34H30FN3O4 (C34 H30 FN3 O4)

Compound Name

N~1~-{(Z)-2-[4-(benzyloxy)phenyl]-1-[(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)carbonyl]-1-ethenyl}-4-fluorobenzamide

IUPAC name

N-[(1Z)-1-[4-(benzyloxy)phenyl]-3-oxo-3-{6-oxo-711-diazatricyclo[7.3.1.0^{27}]trideca-24-dien-11-yl}prop-1-en-2-yl]-4-fluorobenzamide

SMILES

O=C(/C(/NC(c(cc1)ccc1F)=O)=C/c(cc1)ccc1OCc1ccccc1)N(CC(C1)CN23)CC1C3=CC=CC2=O

InChI

InChI=1S/C34H30FN3O4/c35-28-13-11-26(12-14-28)33(40)36-30(18-23-9-15-29(16-10-23)42-22-24-5-2-1-3-6-24)34(41)37-19-25-17-27(21-37)31-7-4-8-32(39)38(31)20-25/h1-16,18,25,27H,17,19-22H2,(H,36,40)

InChI Key

GECIVCIUDVVKEZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02656724

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

563.63

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

5.313

Distribution Coefficient, logD

2.584

Water Solubility, LogSw

-5.66

Polar Surface Area

61.738

Acid Dissociation Constant (pKa)

26.02

Base Dissociation Constant (pKb)

5.20

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

20.60

K617-0014 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with K617-0014 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K617-0014?
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What is the minimum amount of K617-0014 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K617-0014
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K617-0014
  • 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 K617-0014 available by request