2368-0408 Screening compound: 3-(5-{[(5Z)-1-(4-methylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}furan-2-yl)benzoic acid

2368-0408 Screening compound: 3-(5-{[(5Z)-1-(4-methylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}furan-2-yl)benzoic acid
2368-0408 Screening compound: 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 2368-0408
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

2368-0408

Molecular Formula

C23H16N2O6 (C23 H16 N2 O6)

Compound Name

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

IUPAC name

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(-c3cc(C(O)=O)ccc3)o2)=O)C1=O

InChI

InChI=1S/C23H16N2O6/c1-13-5-7-16(8-6-13)25-21(27)18(20(26)24-23(25)30)12-17-9-10-19(31-17)14-3-2-4-15(11-14)22(28)29/h2-12H,1H3,(H,28,29)(H,24,26,30)

InChI Key

DQEDMBUQJNJGRF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01541219

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

416.39

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

3.791

Distribution Coefficient, logD

0.278

Water Solubility, LogSw

-3.95

Polar Surface Area

89.369

Acid Dissociation Constant (pKa)

3.89

Base Dissociation Constant (pKb)

-5.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.30

References: we are preparing a list of scientific research reports with 2368-0408 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2368-0408?
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What is the minimum amount of 2368-0408 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2368-0408
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2368-0408
  • 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 2368-0408 available by request