8104-07163 Screening compound: 1-[(2-{[(5-methylthiophen-2-yl)methyl]amino}ethyl)amino]propan-2-ol

8104-07163 Screening compound: 1-[(2-{[(5-methylthiophen-2-yl)methyl]amino}ethyl)amino]propan-2-ol
8104-07163 Screening compound: 1-[(2-{[(5-methylthiophen-2-yl)methyl]amino}ethyl)amino]propan-2-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound 8104-07163
1-[(2-{[(5-methylthiophen-2-yl)methyl]amino}ethyl)amino]propan-2-ol

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

8104-07163

Molecular Formula

C11H20N2OS (C11 H20 N2 OS)

Compound Name

1-[(2-{[(5-methylthiophen-2-yl)methyl]amino}ethyl)amino]propan-2-ol

IUPAC name

1-[(2-{[(5-methylthiophen-2-yl)methyl]amino}ethyl)amino]propan-2-ol

SMILES

CC(CNCCNCc1ccc(C)s1)O

InChI

InChI=1S/C11H20N2OS/c1-9(14)7-12-5-6-13-8-11-4-3-10(2)15-11/h3-4,9,12-14H,5-8H2,1-2H3/t9-/m0/s1

InChI Key

JZZKGESVCWVVPX-VIFPVBQESA-N

MDL Number (MFCD)

MFCD07408568

Chemical and Physical Properties

Saltdata

2HCl

Molecular Weight

228.36

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

0.410

Distribution Coefficient, logD

-1.862

Water Solubility, LogSw

-1.41

Polar Surface Area

41.493

Acid Dissociation Constant (pKa)

16.37

Base Dissociation Constant (pKb)

9.67

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

63.60

8104-07163 in Drug Discovery

Included in Screening Libraries

Protein Arginine Methyltransferases Library (27925 compounds)

Akt-Targeted Library (14764 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Others
  • Kinases
Mechanism of action:
  • Epigenetic
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8104-07163 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8104-07163?
Check Price and Availability of 8104-07163, 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 8104-07163 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8104-07163
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8104-07163
  • 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 8104-07163 available by request