K784-3774 Screening compound: 2-({cyclohexyl[(thiophen-2-yl)methyl]carbamothioyl}amino)-N-[2-(4-methylphenyl)ethyl]acetamide

K784-3774 Screening compound: 2-({cyclohexyl[(thiophen-2-yl)methyl]carbamothioyl}amino)-N-[2-(4-methylphenyl)ethyl]acetamide
K784-3774 Screening compound: 2-({cyclohexyl[(thiophen-2-yl)methyl]carbamothioyl}amino)-N-[2-(4-methylphenyl)ethyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K784-3774
2-({cyclohexyl[(thiophen-2-yl)methyl]carbamothioyl}amino)-N-[2-(4-methylphenyl)ethyl]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

K784-3774

Molecular Formula

C23H31N3OS2 (C23 H31 N3 OS2)

Compound Name

2-({cyclohexyl[(thiophen-2-yl)methyl]carbamothioyl}amino)-N-[2-(4-methylphenyl)ethyl]acetamide

IUPAC name

2-({cyclohexyl[(thiophen-2-yl)methyl]carbamothioyl}amino)-N-[2-(4-methylphenyl)ethyl]acetamide

SMILES

Cc1ccc(CCNC(CNC(N(Cc2cccs2)C2CCCCC2)=S)=O)cc1

InChI

InChI=1S/C23H31N3OS2/c1-18-9-11-19(12-10-18)13-14-24-22(27)16-25-23(28)26(17-21-8-5-15-29-21)20-6-3-2-4-7-20/h5,8-12,15,20H,2-4,6-7,13-14,16-17H2,1H3,(H,24,27)(H,25,28)

InChI Key

GKLZNYGRMPHLAA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15097642

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

429.65

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.024

Distribution Coefficient, logD

5.024

Water Solubility, LogSw

-4.39

Polar Surface Area

36.326

Acid Dissociation Constant (pKa)

14.76

Base Dissociation Constant (pKb)

0.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.80

K784-3774 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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 K784-3774 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K784-3774?
Check Price and Availability of K784-3774, 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 K784-3774 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K784-3774
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K784-3774
  • 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 K784-3774 available by request