1762-0302 Screening compound: 2-(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)-N-[2-(methylsulfanyl)phenyl]acetamide

1762-0302 Screening compound: 2-(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)-N-[2-(methylsulfanyl)phenyl]acetamide
1762-0302 Screening compound: 2-(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)-N-[2-(methylsulfanyl)phenyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1762-0302
2-(4-bromo-5-methyl-3-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

1762-0302

Molecular Formula

C13H13BrN4O3S (C13 H13 BrN4 O3 S)

Compound Name

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

IUPAC name

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

SMILES

Cc(n(CC(Nc(cccc1)c1SC)=O)nc1[N+]([O-])=O)c1Br

InChI

InChI=1S/C13H13BrN4O3S/c1-8-12(14)13(18(20)21)16-17(8)7-11(19)15-9-5-3-4-6-10(9)22-2/h3-6H,7H2,1-2H3,(H,15,19)

InChI Key

WJMCQENDZDGXTG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00808831

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

385.24

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

2.263

Distribution Coefficient, logD

2.263

Water Solubility, LogSw

-2.73

Polar Surface Area

69.709

Acid Dissociation Constant (pKa)

12.22

Base Dissociation Constant (pKb)

0.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.08

1762-0302 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Human Proteases Annotated Library (2868 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 1762-0302 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1762-0302?
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What is the minimum amount of 1762-0302 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1762-0302
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1762-0302
  • 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 1762-0302 available by request