3335-0215 Screening compound: 1-(2-bromobenzoyl)-3,5-dimethyl-4-[(4-nitrophenyl)sulfanyl]-1H-pyrazole

3335-0215 Screening compound: 1-(2-bromobenzoyl)-3,5-dimethyl-4-[(4-nitrophenyl)sulfanyl]-1H-pyrazole
3335-0215 Screening compound: 1-(2-bromobenzoyl)-3,5-dimethyl-4-[(4-nitrophenyl)sulfanyl]-1H-pyrazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 3335-0215
1-(2-bromobenzoyl)-3,5-dimethyl-4-[(4-nitrophenyl)sulfanyl]-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

3335-0215

Molecular Formula

C18H14BrN3O3S (C18 H14 BrN3 O3 S)

Compound Name

1-(2-bromobenzoyl)-3,5-dimethyl-4-[(4-nitrophenyl)sulfanyl]-1H-pyrazole

IUPAC name

1-(2-bromobenzoyl)-35-dimethyl-4-[(4-nitrophenyl)sulfanyl]-1H-pyrazole

SMILES

Cc(n(C(c(cccc1)c1Br)=O)nc1C)c1Sc(cc1)ccc1[N+]([O-])=O

InChI

InChI=1S/C18H14BrN3O3S/c1-11-17(26-14-9-7-13(8-10-14)22(24)25)12(2)21(20-11)18(23)15-5-3-4-6-16(15)19/h3-10H,1-2H3

InChI Key

KURLQZZYFSFREO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01438352

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

432.3

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.919

Distribution Coefficient, logD

3.919

Water Solubility, LogSw

-4.16

Polar Surface Area

60.962

Acid Dissociation Constant (pKa)

27.24

Base Dissociation Constant (pKb)

-1.31

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

References: we are preparing a list of scientific research reports with 3335-0215 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3335-0215?
Check Price and Availability of 3335-0215, 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 3335-0215 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3335-0215
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3335-0215
  • 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 3335-0215 available by request