K786-9898 Screening compound: 1-(3-methoxyphenyl)-3-(3-methylbutyl)-3-[1-(thiophen-2-yl)ethyl]thiourea

K786-9898 Screening compound: 1-(3-methoxyphenyl)-3-(3-methylbutyl)-3-[1-(thiophen-2-yl)ethyl]thiourea
K786-9898 Screening compound: 1-(3-methoxyphenyl)-3-(3-methylbutyl)-3-[1-(thiophen-2-yl)ethyl]thiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound K786-9898
1-(3-methoxyphenyl)-3-(3-methylbutyl)-3-[1-(thiophen-2-yl)ethyl]thiourea

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

K786-9898

Molecular Formula

C19H26N2OS2 (C19 H26 N2 OS2)

Compound Name

1-(3-methoxyphenyl)-3-(3-methylbutyl)-3-[1-(thiophen-2-yl)ethyl]thiourea

IUPAC name

1-(3-methoxyphenyl)-3-(3-methylbutyl)-3-[1-(thiophen-2-yl)ethyl]thiourea

SMILES

CC(C)CCN(C(C)c1cccs1)C(Nc1cc(OC)ccc1)=S

InChI

InChI=1S/C19H26N2OS2/c1-14(2)10-11-21(15(3)18-9-6-12-24-18)19(23)20-16-7-5-8-17(13-16)22-4/h5-9,12-15H,10-11H2,1-4H3,(H,20,23)/t15-/m0/s1

InChI Key

PPVGWARQDYBSQB-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD03833971

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

362.56

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.609

Distribution Coefficient, logD

5.609

Water Solubility, LogSw

-5.54

Polar Surface Area

18.604

Acid Dissociation Constant (pKa)

14.62

Base Dissociation Constant (pKb)

0.21

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.10

K786-9898 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 K786-9898 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K786-9898?
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What is the minimum amount of K786-9898 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K786-9898
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K786-9898
  • 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 K786-9898 available by request