1697-1288 Screening compound: methyl 4-{2-[(4E)-5-oxo-3-phenyl-1-(4-phenyl-1,3-thiazol-2-yl)-4,5-dihydro-1H-pyrazol-4-ylidene]hydrazin-1-yl}benzoate

1697-1288 Screening compound: methyl 4-{2-[(4E)-5-oxo-3-phenyl-1-(4-phenyl-1,3-thiazol-2-yl)-4,5-dihydro-1H-pyrazol-4-ylidene]hydrazin-1-yl}benzoate
1697-1288 Screening compound: methyl 4-{2-[(4E)-5-oxo-3-phenyl-1-(4-phenyl-1,3-thiazol-2-yl)-4,5-dihydro-1H-pyrazol-4-ylidene]hydrazin-1-yl}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1697-1288
methyl 4-{2-[(4E)-5-oxo-3-phenyl-1-(4-phenyl-1,3-thiazol-2-yl)-4,5-dihydro-1H-pyrazol-4-ylidene]hydrazin-1-yl}benzoate

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

1697-1288

Molecular Formula

C26H19N5O3S (C26 H19 N5 O3 S)

Compound Name

methyl 4-{2-[(4E)-5-oxo-3-phenyl-1-(4-phenyl-1,3-thiazol-2-yl)-4,5-dihydro-1H-pyrazol-4-ylidene]hydrazin-1-yl}benzoate

IUPAC name

methyl 4-{2-[(4E)-5-oxo-3-phenyl-1-(4-phenyl-13-thiazol-2-yl)-45-dihydro-1H-pyrazol-4-ylidene]hydrazin-1-yl}benzoate

SMILES

COC(c(cc1)ccc1N/N=C(\C(c1ccccc1)=NN1c2nc(-c3ccccc3)cs2)/C1=O)=O

InChI

InChI=1S/C26H19N5O3S/c1-34-25(33)19-12-14-20(15-13-19)28-29-23-22(18-10-6-3-7-11-18)30-31(24(23)32)26-27-21(16-35-26)17-8-4-2-5-9-17/h2-16,28H,1H3

InChI Key

XSRBJLJSEHRARP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01078320

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

481.53

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

6.248

Distribution Coefficient, logD

6.248

Water Solubility, LogSw

-5.82

Polar Surface Area

76.840

Acid Dissociation Constant (pKa)

12.80

Base Dissociation Constant (pKb)

0.63

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

3.80

References: we are preparing a list of scientific research reports with 1697-1288 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1697-1288?
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What is the minimum amount of 1697-1288 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1697-1288
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1697-1288
  • 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 1697-1288 available by request