1154-0003 Screening compound: 4-[(1E,3E)-5-[(4Z)-3-carboxylato-5-oxo-1-(4-sulfonatophenyl)-4,5-dihydro-1H-pyrazol-4-ylidene]penta-1,3-dien-1-yl]-5-hydroxy-1-(4-sulfonatophenyl)-1H-pyrazole-3-carboxylate

1154-0003 Screening compound: 4-[(1E,3E)-5-[(4Z)-3-carboxylato-5-oxo-1-(4-sulfonatophenyl)-4,5-dihydro-1H-pyrazol-4-ylidene]penta-1,3-dien-1-yl]-5-hydroxy-1-(4-sulfonatophenyl)-1H-pyrazole-3-carboxylate
1154-0003 Screening compound: 4-[(1E,3E)-5-[(4Z)-3-carboxylato-5-oxo-1-(4-sulfonatophenyl)-4,5-dihydro-1H-pyrazol-4-ylidene]penta-1,3-dien-1-yl]-5-hydroxy-1-(4-sulfonatophenyl)-1H-pyrazole-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1154-0003
4-[(1E,3E)-5-[(4Z)-3-carboxylato-5-oxo-1-(4-sulfonatophenyl)-4,5-dihydro-1H-pyrazol-4-ylidene]penta-1,3-dien-1-yl]-5-hydroxy-1-(4-sulfonatophenyl)-1H-pyrazole-3-carboxylate

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

1154-0003

Molecular Formula

C25H14N4O12S2 (C25 H14 N4 O12 S2)

Compound Name

4-[(1E,3E)-5-[(4Z)-3-carboxylato-5-oxo-1-(4-sulfonatophenyl)-4,5-dihydro-1H-pyrazol-4-ylidene]penta-1,3-dien-1-yl]-5-hydroxy-1-(4-sulfonatophenyl)-1H-pyrazole-3-carboxylate

IUPAC name

4-[(1E3E)-5-[(4Z)-3-carboxylato-5-oxo-1-(4-sulfonatophenyl)-45-dihydro-1H-pyrazol-4-ylidene]penta-13-dien-1-yl]-5-hydroxy-1-(4-sulfonatophenyl)-1H-pyrazole-3-carboxylate

SMILES

[O-]C(c(c(/C=C/C=C/C=C(/C(C([O-])=O)=NN1c(cc2)ccc2S([O-])(=O)=O)\C1=O)c1O)nn1-c(cc1)ccc1S([O-])(=O)=O)=O

InChI

InChI=1S/C25H18N4O12S2/c30-22-18(20(24(32)33)26-28(22)14-6-10-16(11-7-14)42(36,37)38)4-2-1-3-5-19-21(25(34)35)27-29(23(19)31)15-8-12-17(13-9-15)43(39,40)41/h1-13,30H,(H,32,33)(H,34,35)(H,36,37,38)(H,39,40,41)/p-4

InChI Key

TZPWPQHXYQGSRG-UHFFFAOYSA-J

MDL Number (MFCD)

MFCD00311893

Chemical and Physical Properties

Saltdata

4K+

Molecular Weight

626.54

Hydrogen Bond Acceptors Count

23.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

16

Partition Coefficient, logP

-4.229

Distribution Coefficient, logD

-6.166

Water Solubility, LogSw

-1.93

Polar Surface Area

198.101

Acid Dissociation Constant (pKa)

5.47

Base Dissociation Constant (pKb)

-1.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

References: we are preparing a list of scientific research reports with 1154-0003 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1154-0003?
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What is the minimum amount of 1154-0003 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1154-0003
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1154-0003
  • 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 1154-0003 available by request