K784-8928 Screening compound: 2-{[(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)carbothioyl]amino}-N~1~-phenethylacetamide

K784-8928 Screening compound: 2-{[(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)carbothioyl]amino}-N~1~-phenethylacetamide
K784-8928 Screening compound: 2-{[(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)carbothioyl]amino}-N~1~-phenethylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K784-8928
2-{[(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)carbothioyl]amino}-N~1~-phenethylacetamide

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

K784-8928

Molecular Formula

C22H26N4O2S (C22 H26 N4 O2 S)

Compound Name

2-{[(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)carbothioyl]amino}-N~1~-phenethylacetamide

IUPAC name

2-({6-oxo-711-diazatricyclo[7.3.1.0^{27}]trideca-24-diene-11-carbothioyl}amino)-N-(2-phenylethyl)acetamide

SMILES

O=C(CNC(N(CC(C1)CN23)CC1C3=CC=CC2=O)=S)NCCc1ccccc1

InChI

InChI=1S/C22H26N4O2S/c27-20(23-10-9-16-5-2-1-3-6-16)12-24-22(29)25-13-17-11-18(15-25)19-7-4-8-21(28)26(19)14-17/h1-8,17-18H,9-15H2,(H,23,27)(H,24,29)

InChI Key

VNOCXNWNXIMPDT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15099286

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

410.54

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.498

Distribution Coefficient, logD

2.498

Water Solubility, LogSw

-2.76

Polar Surface Area

52.471

Acid Dissociation Constant (pKa)

14.76

Base Dissociation Constant (pKb)

0.23

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

40.90

K784-8928 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with K784-8928 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K784-8928?
Check Price and Availability of K784-8928, 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 K784-8928 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K784-8928
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K784-8928
  • 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 K784-8928 available by request