K788-0221 Screening compound: 3-(3-methylbutyl)-1-phenyl-3-[1-(thiophen-2-yl)ethyl]urea

K788-0221 Screening compound: 3-(3-methylbutyl)-1-phenyl-3-[1-(thiophen-2-yl)ethyl]urea
K788-0221 Screening compound: 3-(3-methylbutyl)-1-phenyl-3-[1-(thiophen-2-yl)ethyl]urea alternative view

Chemical Structure Depiction of ChemDiv screening compound K788-0221
3-(3-methylbutyl)-1-phenyl-3-[1-(thiophen-2-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

K788-0221

Molecular Formula

C18H24N2OS (C18 H24 N2 OS)

Compound Name

3-(3-methylbutyl)-1-phenyl-3-[1-(thiophen-2-yl)ethyl]urea

IUPAC name

3-(3-methylbutyl)-1-phenyl-3-[1-(thiophen-2-yl)ethyl]urea

SMILES

CC(C)CCN(C(C)c1cccs1)C(Nc1ccccc1)=O

InChI

InChI=1S/C18H24N2OS/c1-14(2)11-12-20(15(3)17-10-7-13-22-17)18(21)19-16-8-5-4-6-9-16/h4-10,13-15H,11-12H2,1-3H3,(H,19,21)/t15-/m0/s1

InChI Key

PRCYZHCHUSVQNX-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD03834092

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

316.47

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.692

Distribution Coefficient, logD

4.692

Water Solubility, LogSw

-4.16

Polar Surface Area

25.631

Acid Dissociation Constant (pKa)

14.56

Base Dissociation Constant (pKb)

-1.69

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.90

K788-0221 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anti-Aging Library (44940 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with K788-0221 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K788-0221?
Check Price and Availability of K788-0221, 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 K788-0221 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K788-0221
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K788-0221
  • 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 K788-0221 available by request