C226-4182 Screening compound: N-(4-chloro-2,5-dimethoxyphenyl)-2-[(3-methyl-4-nitro-1H-pyrazol-5-yl)sulfanyl]acetamide

C226-4182 Screening compound: N-(4-chloro-2,5-dimethoxyphenyl)-2-[(3-methyl-4-nitro-1H-pyrazol-5-yl)sulfanyl]acetamide
C226-4182 Screening compound: N-(4-chloro-2,5-dimethoxyphenyl)-2-[(3-methyl-4-nitro-1H-pyrazol-5-yl)sulfanyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C226-4182
N-(4-chloro-2,5-dimethoxyphenyl)-2-[(3-methyl-4-nitro-1H-pyrazol-5-yl)sulfanyl]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

C226-4182

Molecular Formula

C14H15ClN4O5S (C14 H15 ClN4 O5 S)

Compound Name

N-(4-chloro-2,5-dimethoxyphenyl)-2-[(3-methyl-4-nitro-1H-pyrazol-5-yl)sulfanyl]acetamide

IUPAC name

N-(4-chloro-25-dimethoxyphenyl)-2-[(3-methyl-4-nitro-1H-pyrazol-5-yl)sulfanyl]acetamide

SMILES

Cc1n[nH]c(SCC(Nc(c(OC)c2)cc(OC)c2Cl)=O)c1[N+]([O-])=O

InChI

InChI=1S/C14H15ClN4O5S/c1-7-13(19(21)22)14(18-17-7)25-6-12(20)16-9-5-10(23-2)8(15)4-11(9)24-3/h4-5H,6H2,1-3H3,(H,16,20)(H,17,18)

InChI Key

MZJUPFPAWGTBCP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03829466

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

386.82

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.494

Distribution Coefficient, logD

2.461

Water Solubility, LogSw

-3.32

Polar Surface Area

93.929

Acid Dissociation Constant (pKa)

8.50

Base Dissociation Constant (pKb)

0.08

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

C226-4182 in Drug Discovery

Included in Screening Libraries

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

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with C226-4182 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C226-4182?
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What is the minimum amount of C226-4182 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C226-4182
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C226-4182
  • 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 C226-4182 available by request