2368-1298 Screening compound: (4Z)-4-{[2,5-dimethyl-1-(3-nitrophenyl)-1H-pyrrol-3-yl]methylidene}-3-methyl-1-phenyl-4,5-dihydro-1H-pyrazol-5-one

2368-1298 Screening compound: (4Z)-4-{[2,5-dimethyl-1-(3-nitrophenyl)-1H-pyrrol-3-yl]methylidene}-3-methyl-1-phenyl-4,5-dihydro-1H-pyrazol-5-one
2368-1298 Screening compound: (4Z)-4-{[2,5-dimethyl-1-(3-nitrophenyl)-1H-pyrrol-3-yl]methylidene}-3-methyl-1-phenyl-4,5-dihydro-1H-pyrazol-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 2368-1298
(4Z)-4-{[2,5-dimethyl-1-(3-nitrophenyl)-1H-pyrrol-3-yl]methylidene}-3-methyl-1-phenyl-4,5-dihydro-1H-pyrazol-5-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

2368-1298

Molecular Formula

C23H20N4O3 (C23 H20 N4 O3)

Compound Name

(4Z)-4-{[2,5-dimethyl-1-(3-nitrophenyl)-1H-pyrrol-3-yl]methylidene}-3-methyl-1-phenyl-4,5-dihydro-1H-pyrazol-5-one

IUPAC name

(4Z)-4-{[25-dimethyl-1-(3-nitrophenyl)-1H-pyrrol-3-yl]methylidene}-3-methyl-1-phenyl-45-dihydro-1H-pyrazol-5-one

SMILES

Cc1cc(/C=C(/C(C)=NN2c3ccccc3)\C2=O)c(C)n1-c1cccc([N+]([O-])=O)c1

InChI

InChI=1S/C23H20N4O3/c1-15-12-18(17(3)25(15)20-10-7-11-21(14-20)27(29)30)13-22-16(2)24-26(23(22)28)19-8-5-4-6-9-19/h4-14H,1-3H3

InChI Key

GMSNHQCCOINLRK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01541321

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

400.44

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

4.054

Distribution Coefficient, logD

4.054

Water Solubility, LogSw

-4.18

Polar Surface Area

61.633

Acid Dissociation Constant (pKa)

27.50

Base Dissociation Constant (pKb)

2.54

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.00

2368-1298 in Drug Discovery

Included in Screening Libraries

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

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 2368-1298 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2368-1298?
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What is the minimum amount of 2368-1298 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2368-1298
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2368-1298
  • 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 2368-1298 available by request