1951-2466 Screening compound: (4E)-1-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-methyl-4-[2-(2-methyl-6-nitrophenyl)hydrazin-1-ylidene]-4,5-dihydro-1H-pyrazol-5-one

1951-2466 Screening compound: (4E)-1-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-methyl-4-[2-(2-methyl-6-nitrophenyl)hydrazin-1-ylidene]-4,5-dihydro-1H-pyrazol-5-one
1951-2466 Screening compound: (4E)-1-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-methyl-4-[2-(2-methyl-6-nitrophenyl)hydrazin-1-ylidene]-4,5-dihydro-1H-pyrazol-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 1951-2466
(4E)-1-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-methyl-4-[2-(2-methyl-6-nitrophenyl)hydrazin-1-ylidene]-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

1951-2466

Molecular Formula

C21H18N6O4S (C21 H18 N6 O4 S)

Compound Name

(4E)-1-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-methyl-4-[2-(2-methyl-6-nitrophenyl)hydrazin-1-ylidene]-4,5-dihydro-1H-pyrazol-5-one

IUPAC name

(4E)-1-[4-(4-methoxyphenyl)-13-thiazol-2-yl]-3-methyl-4-[2-(2-methyl-6-nitrophenyl)hydrazin-1-ylidene]-45-dihydro-1H-pyrazol-5-one

SMILES

CC(/C(/C1=O)=N\Nc(c(C)ccc2)c2[N+]([O-])=O)=NN1c1nc(-c(cc2)ccc2OC)cs1

InChI

InChI=1S/C21H18N6O4S/c1-12-5-4-6-17(27(29)30)18(12)23-24-19-13(2)25-26(20(19)28)21-22-16(11-32-21)14-7-9-15(31-3)10-8-14/h4-11,23H,1-3H3

InChI Key

JNZBKNCFTFRSOM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01080983

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

450.48

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

5.057

Distribution Coefficient, logD

5.042

Water Solubility, LogSw

-4.69

Polar Surface Area

94.339

Acid Dissociation Constant (pKa)

8.85

Base Dissociation Constant (pKb)

-1.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

References: we are preparing a list of scientific research reports with 1951-2466 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 1951-2466 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1951-2466
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1951-2466
  • 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 1951-2466 available by request