K788-1651 Screening compound: 3-cyclohexyl-1-(4-ethylphenyl)-3-[1-(pyridin-3-yl)ethyl]urea

K788-1651 Screening compound: 3-cyclohexyl-1-(4-ethylphenyl)-3-[1-(pyridin-3-yl)ethyl]urea
K788-1651 Screening compound: 3-cyclohexyl-1-(4-ethylphenyl)-3-[1-(pyridin-3-yl)ethyl]urea alternative view

Chemical Structure Depiction of ChemDiv screening compound K788-1651
3-cyclohexyl-1-(4-ethylphenyl)-3-[1-(pyridin-3-yl)ethyl]urea

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

K788-1651

Molecular Formula

C22H29N3O (C22 H29 N3 O)

Compound Name

3-cyclohexyl-1-(4-ethylphenyl)-3-[1-(pyridin-3-yl)ethyl]urea

IUPAC name

3-cyclohexyl-1-(4-ethylphenyl)-3-[1-(pyridin-3-yl)ethyl]urea

SMILES

CCc(cc1)ccc1NC(N(C(C)c1cnccc1)C1CCCCC1)=O

InChI

InChI=1S/C22H29N3O/c1-3-18-11-13-20(14-12-18)24-22(26)25(21-9-5-4-6-10-21)17(2)19-8-7-15-23-16-19/h7-8,11-17,21H,3-6,9-10H2,1-2H3,(H,24,26)/t17-/m0/s1

InChI Key

MZUFWAKJJAAQNX-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD15103290

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

351.49

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.125

Distribution Coefficient, logD

5.125

Water Solubility, LogSw

-4.63

Polar Surface Area

33.233

Acid Dissociation Constant (pKa)

15.16

Base Dissociation Constant (pKb)

3.92

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

45.50

K788-1651 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

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

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
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 K788-1651 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K788-1651?
Check Price and Availability of K788-1651, 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 K788-1651 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K788-1651
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K788-1651
  • 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 K788-1651 available by request