1726-0054 Screening compound: 3-(chloromethyl)-5-ethyl-2-(ethylsulfanyl)thiophene

1726-0054 Screening compound: 3-(chloromethyl)-5-ethyl-2-(ethylsulfanyl)thiophene
1726-0054 Screening compound: 3-(chloromethyl)-5-ethyl-2-(ethylsulfanyl)thiophene alternative view

Chemical Structure Depiction of ChemDiv screening compound 1726-0054
3-(chloromethyl)-5-ethyl-2-(ethylsulfanyl)thiophene

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

1726-0054

Molecular Formula

C9H13ClS2 (C9 H13 ClS2)

Compound Name

3-(chloromethyl)-5-ethyl-2-(ethylsulfanyl)thiophene

IUPAC name

3-(chloromethyl)-5-ethyl-2-(ethylsulfanyl)thiophene

SMILES

CCc1cc(CCl)c(SCC)s1

InChI

InChI=1S/C9H13ClS2/c1-3-8-5-7(6-10)9(12-8)11-4-2/h5H,3-4,6H2,1-2H3

InChI Key

LQVXTVBJGPDKFF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00757492

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

220.79

Hydrogen Bond Acceptors Count

1.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

n/a

Partition Coefficient, logP

4.447

Distribution Coefficient, logD

4.447

Water Solubility, LogSw

-4.20

Polar Surface Area

0.000

Acid Dissociation Constant (pKa)

27.00

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

55.60

1726-0054 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 1726-0054 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1726-0054?
Check Price and Availability of 1726-0054, 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 1726-0054 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1726-0054
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1726-0054
  • 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 1726-0054 available by request