1762-0305 Screening compound: 2-(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)-N-[(thiophen-2-yl)methyl]acetamide

1762-0305 Screening compound: 2-(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)-N-[(thiophen-2-yl)methyl]acetamide
1762-0305 Screening compound: 2-(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)-N-[(thiophen-2-yl)methyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1762-0305
2-(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)-N-[(thiophen-2-yl)methyl]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

1762-0305

Molecular Formula

C11H11BrN4O3S (C11 H11 BrN4 O3 S)

Compound Name

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

IUPAC name

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

SMILES

Cc(n(CC(NCc1cccs1)=O)nc1[N+]([O-])=O)c1Br

InChI

InChI=1S/C11H11BrN4O3S/c1-7-10(12)11(16(18)19)14-15(7)6-9(17)13-5-8-3-2-4-20-8/h2-4H,5-6H2,1H3,(H,13,17)

InChI Key

HSEXYYPDDSBVPA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00753752

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

359.2

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.760

Distribution Coefficient, logD

1.760

Water Solubility, LogSw

-2.52

Polar Surface Area

72.748

Acid Dissociation Constant (pKa)

13.79

Base Dissociation Constant (pKb)

-1.38

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

1762-0305 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 1762-0305 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1762-0305?
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What is the minimum amount of 1762-0305 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1762-0305
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1762-0305
  • 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 1762-0305 available by request