3335-0109 Screening compound: 3,5-dimethyl-4-(phenylsulfanyl)-1-(thiophene-2-carbonyl)-1H-pyrazole

3335-0109 Screening compound: 3,5-dimethyl-4-(phenylsulfanyl)-1-(thiophene-2-carbonyl)-1H-pyrazole
3335-0109 Screening compound: 3,5-dimethyl-4-(phenylsulfanyl)-1-(thiophene-2-carbonyl)-1H-pyrazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 3335-0109
3,5-dimethyl-4-(phenylsulfanyl)-1-(thiophene-2-carbonyl)-1H-pyrazole

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

3335-0109

Molecular Formula

C16H14N2OS2 (C16 H14 N2 OS2)

Compound Name

3,5-dimethyl-4-(phenylsulfanyl)-1-(thiophene-2-carbonyl)-1H-pyrazole

IUPAC name

35-dimethyl-4-(phenylsulfanyl)-1-(thiophene-2-carbonyl)-1H-pyrazole

SMILES

Cc(n(C(c1cccs1)=O)nc1C)c1Sc1ccccc1

InChI

InChI=1S/C16H14N2OS2/c1-11-15(21-13-7-4-3-5-8-13)12(2)18(17-11)16(19)14-9-6-10-20-14/h3-10H,1-2H3

InChI Key

JILDLSUNHLCSSY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01167178

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

314.43

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.370

Distribution Coefficient, logD

3.370

Water Solubility, LogSw

-3.59

Polar Surface Area

28.599

Acid Dissociation Constant (pKa)

27.57

Base Dissociation Constant (pKb)

-1.77

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

3335-0109 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 3335-0109 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3335-0109?
Check Price and Availability of 3335-0109, 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 3335-0109 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3335-0109
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3335-0109
  • 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 3335-0109 available by request