3335-0226 Screening compound: 1-{3,5-dimethyl-4-[(4-nitrophenyl)sulfanyl]-1H-pyrazol-1-yl}-2-(2-nitrophenoxy)ethan-1-one

3335-0226 Screening compound: 1-{3,5-dimethyl-4-[(4-nitrophenyl)sulfanyl]-1H-pyrazol-1-yl}-2-(2-nitrophenoxy)ethan-1-one
3335-0226 Screening compound: 1-{3,5-dimethyl-4-[(4-nitrophenyl)sulfanyl]-1H-pyrazol-1-yl}-2-(2-nitrophenoxy)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 3335-0226
1-{3,5-dimethyl-4-[(4-nitrophenyl)sulfanyl]-1H-pyrazol-1-yl}-2-(2-nitrophenoxy)ethan-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

3335-0226

Molecular Formula

C19H16N4O6S (C19 H16 N4 O6 S)

Compound Name

1-{3,5-dimethyl-4-[(4-nitrophenyl)sulfanyl]-1H-pyrazol-1-yl}-2-(2-nitrophenoxy)ethan-1-one

IUPAC name

1-{35-dimethyl-4-[(4-nitrophenyl)sulfanyl]-1H-pyrazol-1-yl}-2-(2-nitrophenoxy)ethan-1-one

SMILES

Cc(n(C(COc(cccc1)c1[N+]([O-])=O)=O)nc1C)c1Sc(cc1)ccc1[N+]([O-])=O

InChI

InChI=1S/C19H16N4O6S/c1-12-19(30-15-9-7-14(8-10-15)22(25)26)13(2)21(20-12)18(24)11-29-17-6-4-3-5-16(17)23(27)28/h3-10H,11H2,1-2H3

InChI Key

SMIQOGLLGXXNMI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01412578

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

428.43

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.030

Distribution Coefficient, logD

3.030

Water Solubility, LogSw

-3.55

Polar Surface Area

101.101

Acid Dissociation Constant (pKa)

16.75

Base Dissociation Constant (pKb)

-1.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.80

References: we are preparing a list of scientific research reports with 3335-0226 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3335-0226?
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What is the minimum amount of 3335-0226 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3335-0226
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3335-0226
  • 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 3335-0226 available by request