1762-0339 Screening compound: 2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)-N-[2-(methylsulfanyl)phenyl]acetamide

1762-0339 Screening compound: 2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)-N-[2-(methylsulfanyl)phenyl]acetamide
1762-0339 Screening compound: 2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)-N-[2-(methylsulfanyl)phenyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1762-0339
2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)-N-[2-(methylsulfanyl)phenyl]acetamide

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

1762-0339

Molecular Formula

C14H16N4O3S (C14 H16 N4 O3 S)

Compound Name

2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)-N-[2-(methylsulfanyl)phenyl]acetamide

IUPAC name

2-(35-dimethyl-4-nitro-1H-pyrazol-1-yl)-N-[2-(methylsulfanyl)phenyl]acetamide

SMILES

Cc(n(CC(Nc(cccc1)c1SC)=O)nc1C)c1[N+]([O-])=O

InChI

InChI=1S/C14H16N4O3S/c1-9-14(18(20)21)10(2)17(16-9)8-13(19)15-11-6-4-5-7-12(11)22-3/h4-7H,8H2,1-3H3,(H,15,19)

InChI Key

MGHPUZVGTIZFEH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00753763

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

320.37

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.755

Distribution Coefficient, logD

1.755

Water Solubility, LogSw

-2.47

Polar Surface Area

69.751

Acid Dissociation Constant (pKa)

12.22

Base Dissociation Constant (pKb)

0.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

References: we are preparing a list of scientific research reports with 1762-0339 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1762-0339?
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What is the minimum amount of 1762-0339 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1762-0339
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1762-0339
  • 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 1762-0339 available by request