1762-0304 Screening compound: 2-(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)-1-(1,2,3,4-tetrahydroquinolin-1-yl)ethan-1-one

1762-0304 Screening compound: 2-(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)-1-(1,2,3,4-tetrahydroquinolin-1-yl)ethan-1-one
1762-0304 Screening compound: 2-(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)-1-(1,2,3,4-tetrahydroquinolin-1-yl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 1762-0304
2-(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)-1-(1,2,3,4-tetrahydroquinolin-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

1762-0304

Molecular Formula

C15H15BrN4O3 (C15 H15 BrN4 O3)

Compound Name

2-(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)-1-(1,2,3,4-tetrahydroquinolin-1-yl)ethan-1-one

IUPAC name

2-(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)-1-(1234-tetrahydroquinolin-1-yl)ethan-1-one

SMILES

Cc(n(CC(N(CCC1)c2c1cccc2)=O)nc1[N+]([O-])=O)c1Br

InChI

InChI=1S/C15H15BrN4O3/c1-10-14(16)15(20(22)23)17-19(10)9-13(21)18-8-4-6-11-5-2-3-7-12(11)18/h2-3,5,7H,4,6,8-9H2,1H3

InChI Key

IINBTNNKFAPBRB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00808833

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

379.21

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.281

Distribution Coefficient, logD

2.281

Water Solubility, LogSw

-2.39

Polar Surface Area

62.315

Acid Dissociation Constant (pKa)

23.41

Base Dissociation Constant (pKb)

0.82

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

1762-0304 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Frequent Hitters Library (7624 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 1762-0304 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1762-0304?
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What is the minimum amount of 1762-0304 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1762-0304
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1762-0304
  • 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 1762-0304 available by request