1697-1286 Screening compound: 3-{2-[(4E)-5-oxo-3-phenyl-1-(4-phenyl-1,3-thiazol-2-yl)-4,5-dihydro-1H-pyrazol-4-ylidene]hydrazin-1-yl}benzoic acid

1697-1286 Screening compound: 3-{2-[(4E)-5-oxo-3-phenyl-1-(4-phenyl-1,3-thiazol-2-yl)-4,5-dihydro-1H-pyrazol-4-ylidene]hydrazin-1-yl}benzoic acid
1697-1286 Screening compound: 3-{2-[(4E)-5-oxo-3-phenyl-1-(4-phenyl-1,3-thiazol-2-yl)-4,5-dihydro-1H-pyrazol-4-ylidene]hydrazin-1-yl}benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 1697-1286
3-{2-[(4E)-5-oxo-3-phenyl-1-(4-phenyl-1,3-thiazol-2-yl)-4,5-dihydro-1H-pyrazol-4-ylidene]hydrazin-1-yl}benzoic acid

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

1697-1286

Molecular Formula

C25H17N5O3S (C25 H17 N5 O3 S)

Compound Name

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

IUPAC name

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

SMILES

OC(c1cccc(N/N=C(\C(c2ccccc2)=NN2c3nc(-c4ccccc4)cs3)/C2=O)c1)=O

InChI

InChI=1S/C25H17N5O3S/c31-23-22(28-27-19-13-7-12-18(14-19)24(32)33)21(17-10-5-2-6-11-17)29-30(23)25-26-20(15-34-25)16-8-3-1-4-9-16/h1-15,27H,(H,32,33)

InChI Key

BCZSMCGPVWKLCI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01078318

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

467.51

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

6.392

Distribution Coefficient, logD

3.310

Water Solubility, LogSw

-5.93

Polar Surface Area

84.074

Acid Dissociation Constant (pKa)

4.32

Base Dissociation Constant (pKb)

1.21

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

References: we are preparing a list of scientific research reports with 1697-1286 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1697-1286?
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What is the minimum amount of 1697-1286 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1697-1286
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1697-1286
  • 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 1697-1286 available by request