8017-7409 Screening compound: 1-[2-methoxy-5-(methylsulfanyl)-3-thienyl]-2-propanamine

8017-7409 Screening compound: 1-[2-methoxy-5-(methylsulfanyl)-3-thienyl]-2-propanamine
8017-7409 Screening compound: 1-[2-methoxy-5-(methylsulfanyl)-3-thienyl]-2-propanamine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-7409
1-[2-methoxy-5-(methylsulfanyl)-3-thienyl]-2-propanamine

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

8017-7409

Molecular Formula

C9H15NOS2 (C9 H15 NOS2)

Compound Name

1-[2-methoxy-5-(methylsulfanyl)-3-thienyl]-2-propanamine

IUPAC name

1-[2-methoxy-5-(methylsulfanyl)thiophen-3-yl]propan-2-amine

SMILES

CC(Cc1c(OC)sc(SC)c1)N

InChI

InChI=1S/C9H15NOS2/c1-6(10)4-7-5-8(12-3)13-9(7)11-2/h5-6H,4,10H2,1-3H3/t6-/m0/s1

InChI Key

ZTNLTVRVUCZHHK-LURJTMIESA-N

MDL Number (MFCD)

MFCD03990540

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

217.36

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

2.115

Distribution Coefficient, logD

-0.955

Water Solubility, LogSw

-2.14

Polar Surface Area

30.950

Acid Dissociation Constant (pKa)

26.99

Base Dissociation Constant (pKb)

10.47

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

55.56

8017-7409 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8017-7409 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-7409?
Check Price and Availability of 8017-7409, 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 8017-7409 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-7409
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-7409
  • 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 8017-7409 available by request