K617-0130 Screening compound: N~2~-{(Z)-2-(3-fluorophenyl)-1-[(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)carbonyl]-1-ethenyl}-2-furamide

K617-0130 Screening compound: N~2~-{(Z)-2-(3-fluorophenyl)-1-[(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)carbonyl]-1-ethenyl}-2-furamide
K617-0130 Screening compound: N~2~-{(Z)-2-(3-fluorophenyl)-1-[(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)carbonyl]-1-ethenyl}-2-furamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K617-0130
N~2~-{(Z)-2-(3-fluorophenyl)-1-[(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)carbonyl]-1-ethenyl}-2-furamide

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

K617-0130

Molecular Formula

C25H22FN3O4 (C25 H22 FN3 O4)

Compound Name

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

IUPAC name

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

SMILES

O=C(/C(/NC(c1ccco1)=O)=C/c1cccc(F)c1)N(CC(C1)CN23)CC1C3=CC=CC2=O

InChI

InChI=1S/C25H22FN3O4/c26-19-5-1-4-16(11-19)12-20(27-24(31)22-7-3-9-33-22)25(32)28-13-17-10-18(15-28)21-6-2-8-23(30)29(21)14-17/h1-9,11-12,17-18H,10,13-15H2,(H,27,31)

InChI Key

HUXYIMQKOZRBMC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02656770

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

447.47

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.164

Distribution Coefficient, logD

0.883

Water Solubility, LogSw

-3.36

Polar Surface Area

63.089

Acid Dissociation Constant (pKa)

26.02

Base Dissociation Constant (pKb)

6.26

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

24.00

K617-0130 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with K617-0130 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K617-0130?
Check Price and Availability of K617-0130, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of K617-0130 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K617-0130
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K617-0130
  • 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 K617-0130 available by request