4299-0822 Screening compound: 4-methyl-3-(5-{[(5Z)-1-(4-methylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}furan-2-yl)benzoic acid

4299-0822 Screening compound: 4-methyl-3-(5-{[(5Z)-1-(4-methylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}furan-2-yl)benzoic acid
4299-0822 Screening compound: 4-methyl-3-(5-{[(5Z)-1-(4-methylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}furan-2-yl)benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 4299-0822
4-methyl-3-(5-{[(5Z)-1-(4-methylphenyl)-2,4,6-trioxo-1,3-diazinan-5-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

4299-0822

Molecular Formula

C24H18N2O6 (C24 H18 N2 O6)

Compound Name

4-methyl-3-(5-{[(5Z)-1-(4-methylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}furan-2-yl)benzoic acid

IUPAC name

4-methyl-3-(5-{[(5Z)-1-(4-methylphenyl)-246-trioxo-13-diazinan-5-ylidene]methyl}furan-2-yl)benzoic acid

SMILES

Cc(cc1)ccc1N(C(/C(/C(N1)=O)=C\c2ccc(-c3c(C)ccc(C(O)=O)c3)o2)=O)C1=O

InChI

InChI=1S/C24H18N2O6/c1-13-3-7-16(8-4-13)26-22(28)19(21(27)25-24(26)31)12-17-9-10-20(32-17)18-11-15(23(29)30)6-5-14(18)2/h3-12H,1-2H3,(H,29,30)(H,25,27,31)

InChI Key

VKLQENKPIXWDGP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02629297

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

430.42

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.359

Distribution Coefficient, logD

1.265

Water Solubility, LogSw

-4.22

Polar Surface Area

89.369

Acid Dissociation Constant (pKa)

4.31

Base Dissociation Constant (pKb)

-5.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.30

References: we are preparing a list of scientific research reports with 4299-0822 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4299-0822?
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What is the minimum amount of 4299-0822 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4299-0822
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4299-0822
  • 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 4299-0822 available by request