K617-0157 Screening compound: N~1~-{(Z)-2-(3-bromophenyl)-1-[(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)carbonyl]-1-ethenyl}-1-cyclohexanecarboxamide

K617-0157 Screening compound: N~1~-{(Z)-2-(3-bromophenyl)-1-[(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)carbonyl]-1-ethenyl}-1-cyclohexanecarboxamide
K617-0157 Screening compound: N~1~-{(Z)-2-(3-bromophenyl)-1-[(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)carbonyl]-1-ethenyl}-1-cyclohexanecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K617-0157
N~1~-{(Z)-2-(3-bromophenyl)-1-[(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)carbonyl]-1-ethenyl}-1-cyclohexanecarboxamide

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

K617-0157

Molecular Formula

C27H30BrN3O3 (C27 H30 BrN3 O3)

Compound Name

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

IUPAC name

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

SMILES

O=C(C1CCCCC1)N/C(/C(N(CC(C1)CN23)CC1C3=CC=CC2=O)=O)=C\c1cccc(Br)c1

InChI

InChI=1S/C27H30BrN3O3/c28-22-9-4-6-18(13-22)14-23(29-26(33)20-7-2-1-3-8-20)27(34)30-15-19-12-21(17-30)24-10-5-11-25(32)31(24)16-19/h4-6,9-11,13-14,19-21H,1-3,7-8,12,15-17H2,(H,29,33)

InChI Key

NNKPMKGVUMAUKO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02656780

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

524.46

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.946

Distribution Coefficient, logD

3.077

Water Solubility, LogSw

-4.77

Polar Surface Area

54.702

Acid Dissociation Constant (pKa)

26.02

Base Dissociation Constant (pKb)

7.06

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

44.40

K617-0157 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 K617-0157 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K617-0157?
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What is the minimum amount of K617-0157 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K617-0157
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K617-0157
  • 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 K617-0157 available by request