3335-0107 Screening compound: (2E)-1-[3,5-dimethyl-4-(phenylsulfanyl)-1H-pyrazol-1-yl]-3-phenylprop-2-en-1-one

3335-0107 Screening compound: (2E)-1-[3,5-dimethyl-4-(phenylsulfanyl)-1H-pyrazol-1-yl]-3-phenylprop-2-en-1-one
3335-0107 Screening compound: (2E)-1-[3,5-dimethyl-4-(phenylsulfanyl)-1H-pyrazol-1-yl]-3-phenylprop-2-en-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 3335-0107
(2E)-1-[3,5-dimethyl-4-(phenylsulfanyl)-1H-pyrazol-1-yl]-3-phenylprop-2-en-1-one

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

3335-0107

Molecular Formula

C20H18N2OS (C20 H18 N2 OS)

Compound Name

(2E)-1-[3,5-dimethyl-4-(phenylsulfanyl)-1H-pyrazol-1-yl]-3-phenylprop-2-en-1-one

IUPAC name

(2E)-1-[35-dimethyl-4-(phenylsulfanyl)-1H-pyrazol-1-yl]-3-phenylprop-2-en-1-one

SMILES

Cc(n(C(/C=C/c1ccccc1)=O)nc1C)c1Sc1ccccc1

InChI

InChI=1S/C20H18N2OS/c1-15-20(24-18-11-7-4-8-12-18)16(2)22(21-15)19(23)14-13-17-9-5-3-6-10-17/h3-14H,1-2H3

InChI Key

BLRKPCXKQWKRKQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01470850

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

334.44

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.932

Distribution Coefficient, logD

3.932

Water Solubility, LogSw

-4.14

Polar Surface Area

27.053

Acid Dissociation Constant (pKa)

27.51

Base Dissociation Constant (pKb)

-2.98

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

3335-0107 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 3335-0107 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3335-0107?
Check Price and Availability of 3335-0107, 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 3335-0107 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3335-0107
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3335-0107
  • 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 3335-0107 available by request