K784-8916 Screening compound: N~1~-(2,3-dimethylcyclohexyl)-2-{[(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)carbothioyl]amino}acetamide

K784-8916 Screening compound: N~1~-(2,3-dimethylcyclohexyl)-2-{[(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)carbothioyl]amino}acetamide
K784-8916 Screening compound: N~1~-(2,3-dimethylcyclohexyl)-2-{[(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)carbothioyl]amino}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K784-8916
N~1~-(2,3-dimethylcyclohexyl)-2-{[(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)carbothioyl]amino}acetamide

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

K784-8916

Molecular Formula

C22H32N4O2S (C22 H32 N4 O2 S)

Compound Name

N~1~-(2,3-dimethylcyclohexyl)-2-{[(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)carbothioyl]amino}acetamide

IUPAC name

N-(23-dimethylcyclohexyl)-2-({6-oxo-711-diazatricyclo[7.3.1.0^{27}]trideca-24-diene-11-carbothioyl}amino)acetamide

SMILES

CC(CCC1)C(C)C1NC(CNC(N(CC(C1)CN23)CC1C3=CC=CC2=O)=S)=O

InChI

InChI=1S/C22H32N4O2S/c1-14-5-3-6-18(15(14)2)24-20(27)10-23-22(29)25-11-16-9-17(13-25)19-7-4-8-21(28)26(19)12-16/h4,7-8,14-18H,3,5-6,9-13H2,1-2H3,(H,23,29)(H,24,27)

InChI Key

JXDLLZKJJIQKJX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05026068

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

416.59

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.119

Distribution Coefficient, logD

3.119

Water Solubility, LogSw

-3.39

Polar Surface Area

52.745

Acid Dissociation Constant (pKa)

15.60

Base Dissociation Constant (pKb)

1.58

Number of Chiral Centers

5.00

Percent sp3 carbon bonding

68.20

K784-8916 in Drug Discovery

Included in Screening Libraries

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

Dark Chemical Matter Library (18430 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with K784-8916 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K784-8916?
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What is the minimum amount of K784-8916 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K784-8916
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K784-8916
  • 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 K784-8916 available by request