1890-0196 Screening compound: 2-(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)-N-(5-chloro-2-hydroxyphenyl)acetamide

1890-0196 Screening compound: 2-(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)-N-(5-chloro-2-hydroxyphenyl)acetamide
1890-0196 Screening compound: 2-(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)-N-(5-chloro-2-hydroxyphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1890-0196
2-(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)-N-(5-chloro-2-hydroxyphenyl)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

1890-0196

Molecular Formula

C12H10BrClN4O4 (C12 H10 BrClN4 O4)

Compound Name

2-(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)-N-(5-chloro-2-hydroxyphenyl)acetamide

IUPAC name

n/a

SMILES

Cc(n(CC(Nc(cc(cc1)Cl)c1O)=O)nc1[N+]([O-])=O)c1Br

InChI

InChI=1S/C12H10BrClN4O4/c1-6-11(13)12(18(21)22)16-17(6)5-10(20)15-8-4-7(14)2-3-9(8)19/h2-4,19H,5H2,1H3,(H,15,20)

InChI Key

GVQZMFQVGXLVFT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00300733

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

389.59

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.264

Distribution Coefficient, logD

2.260

Water Solubility, LogSw

-3.09

Polar Surface Area

86.257

Acid Dissociation Constant (pKa)

9.38

Base Dissociation Constant (pKb)

-0.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

1890-0196 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Frequent Hitters Library (7624 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
Structure:
  • Pool

References: we are preparing a list of scientific research reports with 1890-0196 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1890-0196?
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What is the minimum amount of 1890-0196 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1890-0196
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1890-0196
  • 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 1890-0196 available by request