2817-4584 Screening compound: 2-chloro-5-(5-{[(4Z)-1-(4-ethylphenyl)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-ylidene]methyl}furan-2-yl)benzoic acid

2817-4584 Screening compound: 2-chloro-5-(5-{[(4Z)-1-(4-ethylphenyl)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-ylidene]methyl}furan-2-yl)benzoic acid
2817-4584 Screening compound: 2-chloro-5-(5-{[(4Z)-1-(4-ethylphenyl)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-ylidene]methyl}furan-2-yl)benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 2817-4584
2-chloro-5-(5-{[(4Z)-1-(4-ethylphenyl)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-ylidene]methyl}furan-2-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

2817-4584

Molecular Formula

C24H19ClN2O4 (C24 H19 ClN2 O4)

Compound Name

2-chloro-5-(5-{[(4Z)-1-(4-ethylphenyl)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-ylidene]methyl}furan-2-yl)benzoic acid

IUPAC name

2-chloro-5-(5-{[(4Z)-1-(4-ethylphenyl)-3-methyl-5-oxo-45-dihydro-1H-pyrazol-4-ylidene]methyl}furan-2-yl)benzoic acid

SMILES

CCc(cc1)ccc1N(C1=O)N=C(C)/C1=C/c1ccc(-c(cc2)cc(C(O)=O)c2Cl)o1

InChI

InChI=1S/C24H19ClN2O4/c1-3-15-4-7-17(8-5-15)27-23(28)19(14(2)26-27)13-18-9-11-22(31-18)16-6-10-21(25)20(12-16)24(29)30/h4-13H,3H2,1-2H3,(H,29,30)

InChI Key

QLWAMXOJWOAAGL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01909375

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

434.88

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.920

Distribution Coefficient, logD

1.490

Water Solubility, LogSw

-5.69

Polar Surface Area

61.565

Acid Dissociation Constant (pKa)

2.97

Base Dissociation Constant (pKb)

3.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

References: we are preparing a list of scientific research reports with 2817-4584 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 2817-4584 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2817-4584
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2817-4584
  • 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 2817-4584 available by request