4169-2509 Screening compound: 4-(5-{[(4Z)-1-(3-chloro-4-methylphenyl)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-ylidene]methyl}furan-2-yl)benzoic acid

4169-2509 Screening compound: 4-(5-{[(4Z)-1-(3-chloro-4-methylphenyl)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-ylidene]methyl}furan-2-yl)benzoic acid
4169-2509 Screening compound: 4-(5-{[(4Z)-1-(3-chloro-4-methylphenyl)-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 4169-2509
4-(5-{[(4Z)-1-(3-chloro-4-methylphenyl)-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

4169-2509

Molecular Formula

C23H17ClN2O4 (C23 H17 ClN2 O4)

Compound Name

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

IUPAC name

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

SMILES

CC(/C(/C1=O)=C/c2ccc(-c(cc3)ccc3C(O)=O)o2)=NN1c1cc(Cl)c(C)cc1

InChI

InChI=1S/C23H17ClN2O4/c1-13-3-8-17(11-20(13)24)26-22(27)19(14(2)25-26)12-18-9-10-21(30-18)15-4-6-16(7-5-15)23(28)29/h3-12H,1-2H3,(H,28,29)

InChI Key

YOLWIZWKHROFPY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14709541

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

420.85

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.884

Distribution Coefficient, logD

2.157

Water Solubility, LogSw

-5.75

Polar Surface Area

61.565

Acid Dissociation Constant (pKa)

3.67

Base Dissociation Constant (pKb)

2.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.70

4169-2509 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 4169-2509 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4169-2509?
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What is the minimum amount of 4169-2509 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4169-2509
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4169-2509
  • 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 4169-2509 available by request