2368-0316 Screening compound: 2-(5-{[(5E)-1-(4-chlorophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}furan-2-yl)benzoic acid

2368-0316 Screening compound: 2-(5-{[(5E)-1-(4-chlorophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}furan-2-yl)benzoic acid
2368-0316 Screening compound: 2-(5-{[(5E)-1-(4-chlorophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}furan-2-yl)benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 2368-0316
2-(5-{[(5E)-1-(4-chlorophenyl)-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

2368-0316

Molecular Formula

C22H13ClN2O6 (C22 H13 ClN2 O6)

Compound Name

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

IUPAC name

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

SMILES

OC(c(cccc1)c1-c1ccc(/C=C(\C(NC(N2c(cc3)ccc3Cl)=O)=O)/C2=O)o1)=O

InChI

InChI=1S/C22H13ClN2O6/c23-12-5-7-13(8-6-12)25-20(27)17(19(26)24-22(25)30)11-14-9-10-18(31-14)15-3-1-2-4-16(15)21(28)29/h1-11H,(H,28,29)(H,24,26,30)

InChI Key

MFYTZUHJUPEELC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01541193

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

436.81

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

3.437

Distribution Coefficient, logD

-0.616

Water Solubility, LogSw

-3.99

Polar Surface Area

89.369

Acid Dissociation Constant (pKa)

3.35

Base Dissociation Constant (pKb)

-6.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

References: we are preparing a list of scientific research reports with 2368-0316 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2368-0316?
Check Price and Availability of 2368-0316, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 2368-0316 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2368-0316
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2368-0316
  • 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 2368-0316 available by request