3335-0275 Screening compound: 3-{4-[(4-bromophenyl)sulfanyl]-3,5-dimethyl-1H-pyrazole-1-carbonyl}pyridine

3335-0275 Screening compound: 3-{4-[(4-bromophenyl)sulfanyl]-3,5-dimethyl-1H-pyrazole-1-carbonyl}pyridine
3335-0275 Screening compound: 3-{4-[(4-bromophenyl)sulfanyl]-3,5-dimethyl-1H-pyrazole-1-carbonyl}pyridine alternative view

Chemical Structure Depiction of ChemDiv screening compound 3335-0275
3-{4-[(4-bromophenyl)sulfanyl]-3,5-dimethyl-1H-pyrazole-1-carbonyl}pyridine

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

3335-0275

Molecular Formula

C17H14BrN3OS (C17 H14 BrN3 OS)

Compound Name

3-{4-[(4-bromophenyl)sulfanyl]-3,5-dimethyl-1H-pyrazole-1-carbonyl}pyridine

IUPAC name

3-{4-[(4-bromophenyl)sulfanyl]-35-dimethyl-1H-pyrazole-1-carbonyl}pyridine

SMILES

Cc(n(C(c1cnccc1)=O)nc1C)c1Sc(cc1)ccc1Br

InChI

InChI=1S/C17H14BrN3OS/c1-11-16(23-15-7-5-14(18)6-8-15)12(2)21(20-11)17(22)13-4-3-9-19-10-13/h3-10H,1-2H3

InChI Key

BQOVVEJDXLCQPF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02074343

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

388.29

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.208

Distribution Coefficient, logD

3.208

Water Solubility, LogSw

-3.12

Polar Surface Area

37.099

Acid Dissociation Constant (pKa)

27.20

Base Dissociation Constant (pKb)

3.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.80

3335-0275 in Drug Discovery

Included in Screening Libraries

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

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 3335-0275 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3335-0275?
Check Price and Availability of 3335-0275, 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 3335-0275 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3335-0275
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3335-0275
  • 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 3335-0275 available by request