2198-4029 Screening compound: 3-methyl-N'-[(1Z)-1-(4-nitrophenyl)ethylidene]-1-phenyl-1H-thieno[2,3-c]pyrazole-5-carbohydrazide

2198-4029 Screening compound: 3-methyl-N'-[(1Z)-1-(4-nitrophenyl)ethylidene]-1-phenyl-1H-thieno[2,3-c]pyrazole-5-carbohydrazide
2198-4029 Screening compound: 3-methyl-N'-[(1Z)-1-(4-nitrophenyl)ethylidene]-1-phenyl-1H-thieno[2,3-c]pyrazole-5-carbohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2198-4029
3-methyl-N'-[(1Z)-1-(4-nitrophenyl)ethylidene]-1-phenyl-1H-thieno[2,3-c]pyrazole-5-carbohydrazide

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

2198-4029

Molecular Formula

C21H17N5O3S (C21 H17 N5 O3 S)

Compound Name

3-methyl-N'-[(1Z)-1-(4-nitrophenyl)ethylidene]-1-phenyl-1H-thieno[2,3-c]pyrazole-5-carbohydrazide

IUPAC name

3-methyl-N'-[(1Z)-1-(4-nitrophenyl)ethylidene]-1-phenyl-1H-thieno[23-c]pyrazole-5-carbohydrazide

SMILES

C/C(/c(cc1)ccc1[N+]([O-])=O)=N/NC(c1cc(c(C)nn2-c3ccccc3)c2s1)=O

InChI

InChI=1S/C21H17N5O3S/c1-13(15-8-10-17(11-9-15)26(28)29)22-23-20(27)19-12-18-14(2)24-25(21(18)30-19)16-6-4-3-5-7-16/h3-12H,1-2H3,(H,23,27)

InChI Key

GGBRBFFHDFFXGB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01839978

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

419.46

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.490

Distribution Coefficient, logD

4.490

Water Solubility, LogSw

-4.33

Polar Surface Area

82.998

Acid Dissociation Constant (pKa)

10.32

Base Dissociation Constant (pKb)

1.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.50

References: we are preparing a list of scientific research reports with 2198-4029 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2198-4029?
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What is the minimum amount of 2198-4029 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2198-4029
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2198-4029
  • 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 2198-4029 available by request