1726-0132 Screening compound: 3-[(E)-[(4-butoxyphenyl)imino]methyl]thiophene-2-thiol

1726-0132 Screening compound: 3-[(E)-[(4-butoxyphenyl)imino]methyl]thiophene-2-thiol
1726-0132 Screening compound: 3-[(E)-[(4-butoxyphenyl)imino]methyl]thiophene-2-thiol alternative view

Chemical Structure Depiction of ChemDiv screening compound 1726-0132
3-[(E)-[(4-butoxyphenyl)imino]methyl]thiophene-2-thiol

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

1726-0132

Molecular Formula

C15H17NOS2 (C15 H17 NOS2)

Compound Name

3-[(E)-[(4-butoxyphenyl)imino]methyl]thiophene-2-thiol

IUPAC name

3-[(E)-[(4-butoxyphenyl)imino]methyl]thiophene-2-thiol

SMILES

CCCCOc(cc1)ccc1/N=C/c1c(S)scc1

InChI

InChI=1S/C15H17NOS2/c1-2-3-9-17-14-6-4-13(5-7-14)16-11-12-8-10-19-15(12)18/h4-8,10-11,18H,2-3,9H2,1H3

InChI Key

UIWNEDQJPZKABC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00757525

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

291.44

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

4.760

Distribution Coefficient, logD

4.462

Water Solubility, LogSw

-4.43

Polar Surface Area

16.802

Acid Dissociation Constant (pKa)

7.41

Base Dissociation Constant (pKb)

3.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.70

1726-0132 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 1726-0132 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1726-0132?
Check Price and Availability of 1726-0132, 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 1726-0132 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1726-0132
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1726-0132
  • 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 1726-0132 available by request