K788-0222 Screening compound: 1-(4-ethoxyphenyl)-3-(3-methylbutyl)-3-[1-(thiophen-2-yl)ethyl]urea

K788-0222 Screening compound: 1-(4-ethoxyphenyl)-3-(3-methylbutyl)-3-[1-(thiophen-2-yl)ethyl]urea
K788-0222 Screening compound: 1-(4-ethoxyphenyl)-3-(3-methylbutyl)-3-[1-(thiophen-2-yl)ethyl]urea alternative view

Chemical Structure Depiction of ChemDiv screening compound K788-0222
1-(4-ethoxyphenyl)-3-(3-methylbutyl)-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

K788-0222

Molecular Formula

C20H28N2O2S (C20 H28 N2 O2 S)

Compound Name

1-(4-ethoxyphenyl)-3-(3-methylbutyl)-3-[1-(thiophen-2-yl)ethyl]urea

IUPAC name

1-(4-ethoxyphenyl)-3-(3-methylbutyl)-3-[1-(thiophen-2-yl)ethyl]urea

SMILES

CCOc(cc1)ccc1NC(N(CCC(C)C)C(C)c1cccs1)=O

InChI

InChI=1S/C20H28N2O2S/c1-5-24-18-10-8-17(9-11-18)21-20(23)22(13-12-15(2)3)16(4)19-7-6-14-25-19/h6-11,14-16H,5,12-13H2,1-4H3,(H,21,23)/t16-/m0/s1

InChI Key

JXSPVPOGYDAZDR-INIZCTEOSA-N

MDL Number (MFCD)

MFCD03834093

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

360.52

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.253

Distribution Coefficient, logD

5.253

Water Solubility, LogSw

-4.96

Polar Surface Area

32.755

Acid Dissociation Constant (pKa)

14.23

Base Dissociation Constant (pKb)

2.07

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

45.00

K788-0222 in Drug Discovery

Included in Screening Libraries

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 K788-0222 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K788-0222?
Check Price and Availability of K788-0222, 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 K788-0222 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K788-0222
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K788-0222
  • 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 K788-0222 available by request