3335-0118 Screening compound: 1-(4-bromobenzenesulfonyl)-3,5-dimethyl-4-(phenylsulfanyl)-1H-pyrazole

3335-0118 Screening compound: 1-(4-bromobenzenesulfonyl)-3,5-dimethyl-4-(phenylsulfanyl)-1H-pyrazole
3335-0118 Screening compound: 1-(4-bromobenzenesulfonyl)-3,5-dimethyl-4-(phenylsulfanyl)-1H-pyrazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 3335-0118
1-(4-bromobenzenesulfonyl)-3,5-dimethyl-4-(phenylsulfanyl)-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

3335-0118

Molecular Formula

C17H15BrN2O2S2 (C17 H15 BrN2 O2 S2)

Compound Name

1-(4-bromobenzenesulfonyl)-3,5-dimethyl-4-(phenylsulfanyl)-1H-pyrazole

IUPAC name

1-(4-bromobenzenesulfonyl)-35-dimethyl-4-(phenylsulfanyl)-1H-pyrazole

SMILES

Cc(n(nc1C)S(c(cc2)ccc2Br)(=O)=O)c1Sc1ccccc1

InChI

InChI=1S/C17H15BrN2O2S2/c1-12-17(23-15-6-4-3-5-7-15)13(2)20(19-12)24(21,22)16-10-8-14(18)9-11-16/h3-11H,1-2H3

InChI Key

NAJXESDCBYZGKW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00562794

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

423.35

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.363

Distribution Coefficient, logD

4.363

Water Solubility, LogSw

-4.36

Polar Surface Area

40.587

Acid Dissociation Constant (pKa)

27.37

Base Dissociation Constant (pKb)

-4.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.80

3335-0118 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 3335-0118 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3335-0118?
Check Price and Availability of 3335-0118, 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 3335-0118 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3335-0118
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3335-0118
  • 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 3335-0118 available by request