2897-1556 Screening compound: methyl 2-(2-methoxy-4-{[(5E)-1-(4-methoxyphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}phenoxy)acetate

2897-1556 Screening compound: methyl 2-(2-methoxy-4-{[(5E)-1-(4-methoxyphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}phenoxy)acetate
2897-1556 Screening compound: methyl 2-(2-methoxy-4-{[(5E)-1-(4-methoxyphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}phenoxy)acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2897-1556
methyl 2-(2-methoxy-4-{[(5E)-1-(4-methoxyphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}phenoxy)acetate

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

2897-1556

Molecular Formula

C22H20N2O8 (C22 H20 N2 O8)

Compound Name

methyl 2-(2-methoxy-4-{[(5E)-1-(4-methoxyphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}phenoxy)acetate

IUPAC name

methyl 2-(2-methoxy-4-{[(5E)-1-(4-methoxyphenyl)-246-trioxo-13-diazinan-5-ylidene]methyl}phenoxy)acetate

SMILES

COC(COc(ccc(/C=C(\C(NC(N1c(cc2)ccc2OC)=O)=O)/C1=O)c1)c1OC)=O

InChI

InChI=1S/C22H20N2O8/c1-29-15-7-5-14(6-8-15)24-21(27)16(20(26)23-22(24)28)10-13-4-9-17(18(11-13)30-2)32-12-19(25)31-3/h4-11H,12H2,1-3H3,(H,23,26,28)

InChI Key

DWMQAATYLIYUGN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02085168

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

440.41

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.346

Distribution Coefficient, logD

1.043

Water Solubility, LogSw

-2.20

Polar Surface Area

96.730

Acid Dissociation Constant (pKa)

7.40

Base Dissociation Constant (pKb)

-5.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

References: we are preparing a list of scientific research reports with 2897-1556 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2897-1556?
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What is the minimum amount of 2897-1556 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2897-1556
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2897-1556
  • 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 2897-1556 available by request