V003-5823 Screening compound: methyl 2-({[(Z)-{1-[5-(4-fluorophenyl)-2-methyl-1-(3-methylphenyl)-1H-pyrrol-3-yl]ethylidene}amino]oxy}methyl)benzoate

V003-5823 Screening compound: methyl 2-({[(Z)-{1-[5-(4-fluorophenyl)-2-methyl-1-(3-methylphenyl)-1H-pyrrol-3-yl]ethylidene}amino]oxy}methyl)benzoate
V003-5823 Screening compound: methyl 2-({[(Z)-{1-[5-(4-fluorophenyl)-2-methyl-1-(3-methylphenyl)-1H-pyrrol-3-yl]ethylidene}amino]oxy}methyl)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound V003-5823
methyl 2-({[(Z)-{1-[5-(4-fluorophenyl)-2-methyl-1-(3-methylphenyl)-1H-pyrrol-3-yl]ethylidene}amino]oxy}methyl)benzoate

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

V003-5823

Molecular Formula

C29H27FN2O3 (C29 H27 FN2 O3)

Compound Name

methyl 2-({[(Z)-{1-[5-(4-fluorophenyl)-2-methyl-1-(3-methylphenyl)-1H-pyrrol-3-yl]ethylidene}amino]oxy}methyl)benzoate

IUPAC name

methyl 2-({[(Z)-{1-[5-(4-fluorophenyl)-2-methyl-1-(3-methylphenyl)-1H-pyrrol-3-yl]ethylidene}amino]oxy}methyl)benzoate

SMILES

C/C(/c(cc1-c(cc2)ccc2F)c(C)n1-c1cc(C)ccc1)=N/OCc(cccc1)c1C(OC)=O

InChI

InChI=1S/C29H27FN2O3/c1-19-8-7-10-25(16-19)32-21(3)27(17-28(32)22-12-14-24(30)15-13-22)20(2)31-35-18-23-9-5-6-11-26(23)29(33)34-4/h5-17H,18H2,1-4H3

InChI Key

DCJJSJKHVZTULZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19776337

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

470.54

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

7.412

Distribution Coefficient, logD

7.412

Water Solubility, LogSw

-5.75

Polar Surface Area

41.763

Acid Dissociation Constant (pKa)

24.41

Base Dissociation Constant (pKb)

0.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.20

References: we are preparing a list of scientific research reports with V003-5823 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V003-5823?
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What is the minimum amount of V003-5823 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V003-5823
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V003-5823
  • 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 V003-5823 available by request