K617-0107 Screening compound: 4-methyl-N~1~-{(Z)-2-(3-nitrophenyl)-1-[(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)carbonyl]-1-ethenyl}benzamide

K617-0107 Screening compound: 4-methyl-N~1~-{(Z)-2-(3-nitrophenyl)-1-[(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)carbonyl]-1-ethenyl}benzamide
K617-0107 Screening compound: 4-methyl-N~1~-{(Z)-2-(3-nitrophenyl)-1-[(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)carbonyl]-1-ethenyl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K617-0107
4-methyl-N~1~-{(Z)-2-(3-nitrophenyl)-1-[(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)carbonyl]-1-ethenyl}benzamide

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

K617-0107

Molecular Formula

C28H26N4O5 (C28 H26 N4 O5)

Compound Name

4-methyl-N~1~-{(Z)-2-(3-nitrophenyl)-1-[(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)carbonyl]-1-ethenyl}benzamide

IUPAC name

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

SMILES

Cc(cc1)ccc1C(N/C(/C(N(CC(C1)CN23)CC1C3=CC=CC2=O)=O)=C\c1cccc([N+]([O-])=O)c1)=O

InChI

InChI=1S/C28H26N4O5/c1-18-8-10-21(11-9-18)27(34)29-24(14-19-4-2-5-23(13-19)32(36)37)28(35)30-15-20-12-22(17-30)25-6-3-7-26(33)31(25)16-20/h2-11,13-14,20,22H,12,15-17H2,1H3,(H,29,34)

InChI Key

KNLCUAVCLRXCGC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02656752

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

498.54

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.102

Distribution Coefficient, logD

2.037

Water Solubility, LogSw

-4.29

Polar Surface Area

87.892

Acid Dissociation Constant (pKa)

5.34

Base Dissociation Constant (pKb)

4.81

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

25.00

K617-0107 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with K617-0107 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K617-0107?
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What is the minimum amount of K617-0107 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K617-0107
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K617-0107
  • 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 K617-0107 available by request