5881-1358 Screening compound: 3-({[(4Z)-1-(4-bromo-3-methylphenyl)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-ylidene]methyl}amino)benzoic acid

5881-1358 Screening compound: 3-({[(4Z)-1-(4-bromo-3-methylphenyl)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-ylidene]methyl}amino)benzoic acid
5881-1358 Screening compound: 3-({[(4Z)-1-(4-bromo-3-methylphenyl)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-ylidene]methyl}amino)benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 5881-1358
3-({[(4Z)-1-(4-bromo-3-methylphenyl)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-ylidene]methyl}amino)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

5881-1358

Molecular Formula

C19H16BrN3O3 (C19 H16 BrN3 O3)

Compound Name

3-({[(4Z)-1-(4-bromo-3-methylphenyl)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-ylidene]methyl}amino)benzoic acid

IUPAC name

3-({[(4Z)-1-(4-bromo-3-methylphenyl)-3-methyl-5-oxo-45-dihydro-1H-pyrazol-4-ylidene]methyl}amino)benzoic acid

SMILES

CC(/C(/C1=O)=C/Nc2cc(C(O)=O)ccc2)=NN1c(cc1)cc(C)c1Br

InChI

InChI=1S/C19H16BrN3O3/c1-11-8-15(6-7-17(11)20)23-18(24)16(12(2)22-23)10-21-14-5-3-4-13(9-14)19(25)26/h3-10,21H,1-2H3,(H,25,26)

InChI Key

LHGRZBKZOWNUME-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14710897

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

414.26

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.600

Distribution Coefficient, logD

1.714

Water Solubility, LogSw

-4.34

Polar Surface Area

65.596

Acid Dissociation Constant (pKa)

4.51

Base Dissociation Constant (pKb)

-4.66

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.50

References: we are preparing a list of scientific research reports with 5881-1358 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5881-1358?
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What is the minimum amount of 5881-1358 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5881-1358
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5881-1358
  • 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 5881-1358 available by request