2897-1052 Screening compound: methyl 2-(2,6-diiodo-4-{[(5E)-1-(4-methoxyphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}phenoxy)acetate

2897-1052 Screening compound: methyl 2-(2,6-diiodo-4-{[(5E)-1-(4-methoxyphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}phenoxy)acetate
2897-1052 Screening compound: methyl 2-(2,6-diiodo-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 2897-1052
methyl 2-(2,6-diiodo-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

2897-1052

Molecular Formula

C21H16I2N2O7 (C21 H16 I2 N2 O7)

Compound Name

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

IUPAC name

methyl 2-(26-diiodo-4-{[(5E)-1-(4-methoxyphenyl)-246-trioxo-13-diazinan-5-ylidene]methyl}phenoxy)acetate

SMILES

COC(COc(c(I)cc(/C=C(\C(NC(N1c(cc2)ccc2OC)=O)=O)/C1=O)c1)c1I)=O

InChI

InChI=1S/C21H16I2N2O7/c1-30-13-5-3-12(4-6-13)25-20(28)14(19(27)24-21(25)29)7-11-8-15(22)18(16(23)9-11)32-10-17(26)31-2/h3-9H,10H2,1-2H3,(H,24,27,29)

InChI Key

IUGIUEJKVKVKGM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02085119

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

662.18

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.444

Distribution Coefficient, logD

3.141

Water Solubility, LogSw

-3.79

Polar Surface Area

89.186

Acid Dissociation Constant (pKa)

7.40

Base Dissociation Constant (pKb)

-5.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

References: we are preparing a list of scientific research reports with 2897-1052 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2897-1052?
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What is the minimum amount of 2897-1052 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2897-1052
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2897-1052
  • 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 2897-1052 available by request