1951-2444 Screening compound: (4E)-3-methyl-4-[2-(2-methyl-5-nitrophenyl)hydrazin-1-ylidene]-1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-4,5-dihydro-1H-pyrazol-5-one

1951-2444 Screening compound: (4E)-3-methyl-4-[2-(2-methyl-5-nitrophenyl)hydrazin-1-ylidene]-1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-4,5-dihydro-1H-pyrazol-5-one
1951-2444 Screening compound: (4E)-3-methyl-4-[2-(2-methyl-5-nitrophenyl)hydrazin-1-ylidene]-1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-4,5-dihydro-1H-pyrazol-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 1951-2444
(4E)-3-methyl-4-[2-(2-methyl-5-nitrophenyl)hydrazin-1-ylidene]-1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-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

1951-2444

Molecular Formula

C21H18N6O3S (C21 H18 N6 O3 S)

Compound Name

(4E)-3-methyl-4-[2-(2-methyl-5-nitrophenyl)hydrazin-1-ylidene]-1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-4,5-dihydro-1H-pyrazol-5-one

IUPAC name

(4E)-3-methyl-4-[2-(2-methyl-5-nitrophenyl)hydrazin-1-ylidene]-1-[4-(4-methylphenyl)-13-thiazol-2-yl]-45-dihydro-1H-pyrazol-5-one

SMILES

CC(/C(/C1=O)=N\Nc2c(C)ccc([N+]([O-])=O)c2)=NN1c1nc(-c2ccc(C)cc2)cs1

InChI

InChI=1S/C21H18N6O3S/c1-12-4-7-15(8-5-12)18-11-31-21(22-18)26-20(28)19(14(3)25-26)24-23-17-10-16(27(29)30)9-6-13(17)2/h4-11,23H,1-3H3

InChI Key

IJYBTWBAMKPFDJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01537288

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

434.48

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

5.992

Distribution Coefficient, logD

5.991

Water Solubility, LogSw

-5.44

Polar Surface Area

87.794

Acid Dissociation Constant (pKa)

10.08

Base Dissociation Constant (pKb)

1.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

1951-2444 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 1951-2444 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 1951-2444 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1951-2444
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1951-2444
  • 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 1951-2444 available by request