Z601-0540 Screening compound: 1-(4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)pyrrolidine

Z601-0540 Screening compound: 1-(4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)pyrrolidine
Z601-0540 Screening compound: 1-(4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)pyrrolidine alternative view

Chemical Structure Depiction of ChemDiv screening compound Z601-0540
1-(4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)pyrrolidine

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

Z601-0540

Molecular Formula

C13H17NOS (C13 H17 NOS)

Compound Name

1-(4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)pyrrolidine

IUPAC name

n/a

SMILES

O=C(c1csc2c1CCCC2)N1CCCC1

InChI

InChI=1S/C13H17NOS/c15-13(14-7-3-4-8-14)11-9-16-12-6-2-1-5-10(11)12/h9H,1-8H2

InChI Key

UCIDWVAKVKFAKP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD11732009

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

235.35

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

2.965

Distribution Coefficient, logD

2.965

Water Solubility, LogSw

-3.31

Polar Surface Area

18.192

Acid Dissociation Constant (pKa)

24.97

Base Dissociation Constant (pKb)

-3.89

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

61.50

Z601-0540 in Drug Discovery

Included in Screening Libraries

Fragments Library (11262 compounds)

Included in 1.7M Stock Database

Structure:
  • Fragments

References: we are preparing a list of scientific research reports with Z601-0540 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Z601-0540?
Check Price and Availability of Z601-0540, 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 Z601-0540 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Z601-0540
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Z601-0540
  • 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 Z601-0540 available by request