E540-0052 Screening compound: dipropyl[(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methyl]amine

E540-0052 Screening compound: dipropyl[(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methyl]amine
E540-0052 Screening compound: dipropyl[(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methyl]amine alternative view

Chemical Structure Depiction of ChemDiv screening compound E540-0052
dipropyl[(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methyl]amine

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

E540-0052

Molecular Formula

C15H25NS (C15 H25 NS)

Compound Name

dipropyl[(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methyl]amine

IUPAC name

dipropyl[(4567-tetrahydro-1-benzothiophen-3-yl)methyl]amine

SMILES

CCCN(CCC)Cc1csc2c1CCCC2

InChI

InChI=1S/C15H25NS/c1-3-9-16(10-4-2)11-13-12-17-15-8-6-5-7-14(13)15/h12H,3-11H2,1-2H3

InChI Key

IUQPTWCISDGTHF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14897172

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

251.44

Hydrogen Bond Acceptors Count

1.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

1

Partition Coefficient, logP

4.454

Distribution Coefficient, logD

-0.374

Water Solubility, LogSw

-4.14

Polar Surface Area

5.117

Acid Dissociation Constant (pKa)

26.03

Base Dissociation Constant (pKb)

12.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

73.30

E540-0052 in Drug Discovery

Included in Screening Libraries

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with E540-0052 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E540-0052?
Check Price and Availability of E540-0052, 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 E540-0052 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E540-0052
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E540-0052
  • 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 E540-0052 available by request