5795-0086 Screening compound: 2-(4-chlorophenoxy)-1-{3,5-dimethyl-4-[(4-nitrophenyl)sulfanyl]-1H-pyrazol-1-yl}ethan-1-one

5795-0086 Screening compound: 2-(4-chlorophenoxy)-1-{3,5-dimethyl-4-[(4-nitrophenyl)sulfanyl]-1H-pyrazol-1-yl}ethan-1-one
5795-0086 Screening compound: 2-(4-chlorophenoxy)-1-{3,5-dimethyl-4-[(4-nitrophenyl)sulfanyl]-1H-pyrazol-1-yl}ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 5795-0086
2-(4-chlorophenoxy)-1-{3,5-dimethyl-4-[(4-nitrophenyl)sulfanyl]-1H-pyrazol-1-yl}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

5795-0086

Molecular Formula

C19H16ClN3O4S (C19 H16 ClN3 O4 S)

Compound Name

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

IUPAC name

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

SMILES

Cc(n(C(COc(cc1)ccc1Cl)=O)nc1C)c1Sc(cc1)ccc1[N+]([O-])=O

InChI

InChI=1S/C19H16ClN3O4S/c1-12-19(28-17-9-5-15(6-10-17)23(25)26)13(2)22(21-12)18(24)11-27-16-7-3-14(20)4-8-16/h3-10H,11H2,1-2H3

InChI Key

LSOZOUPBVQUNAW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02633609

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

417.87

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.918

Distribution Coefficient, logD

3.918

Water Solubility, LogSw

-4.40

Polar Surface Area

67.934

Acid Dissociation Constant (pKa)

16.36

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 5795-0086 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5795-0086?
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What is the minimum amount of 5795-0086 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5795-0086
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5795-0086
  • 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 5795-0086 available by request