5795-0094 Screening compound: 3,5-dimethyl-1-(4-methylbenzoyl)-4-[(4-nitrophenyl)sulfanyl]-1H-pyrazole

5795-0094 Screening compound: 3,5-dimethyl-1-(4-methylbenzoyl)-4-[(4-nitrophenyl)sulfanyl]-1H-pyrazole
5795-0094 Screening compound: 3,5-dimethyl-1-(4-methylbenzoyl)-4-[(4-nitrophenyl)sulfanyl]-1H-pyrazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 5795-0094
3,5-dimethyl-1-(4-methylbenzoyl)-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

5795-0094

Molecular Formula

C19H17N3O3S (C19 H17 N3 O3 S)

Compound Name

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

IUPAC name

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

SMILES

Cc(n(C(c1ccc(C)cc1)=O)nc1C)c1Sc(cc1)ccc1[N+]([O-])=O

InChI

InChI=1S/C19H17N3O3S/c1-12-4-6-15(7-5-12)19(23)21-14(3)18(13(2)20-21)26-17-10-8-16(9-11-17)22(24)25/h4-11H,1-3H3

InChI Key

OINKNTYBIBRIDB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03707617

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

367.43

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

4.015

Distribution Coefficient, logD

4.015

Water Solubility, LogSw

-4.11

Polar Surface Area

60.962

Acid Dissociation Constant (pKa)

27.63

Base Dissociation Constant (pKb)

-1.31

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.80

References: we are preparing a list of scientific research reports with 5795-0094 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5795-0094?
Check Price and Availability of 5795-0094, 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 5795-0094 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5795-0094
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5795-0094
  • 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 5795-0094 available by request