2897-1478 Screening compound: 4-[(4-{[(5E)-4,6-dioxo-1-phenyl-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl}-2-methoxyphenoxy)methyl]benzoic acid

2897-1478 Screening compound: 4-[(4-{[(5E)-4,6-dioxo-1-phenyl-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl}-2-methoxyphenoxy)methyl]benzoic acid
2897-1478 Screening compound: 4-[(4-{[(5E)-4,6-dioxo-1-phenyl-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl}-2-methoxyphenoxy)methyl]benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 2897-1478
4-[(4-{[(5E)-4,6-dioxo-1-phenyl-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl}-2-methoxyphenoxy)methyl]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

2897-1478

Molecular Formula

C26H20N2O6S (C26 H20 N2 O6 S)

Compound Name

4-[(4-{[(5E)-4,6-dioxo-1-phenyl-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl}-2-methoxyphenoxy)methyl]benzoic acid

IUPAC name

4-[(4-{[(5E)-46-dioxo-1-phenyl-2-sulfanylidene-13-diazinan-5-ylidene]methyl}-2-methoxyphenoxy)methyl]benzoic acid

SMILES

COc(cc(/C=C(\C(NC(N1c2ccccc2)=S)=O)/C1=O)cc1)c1OCc(cc1)ccc1C(O)=O

InChI

InChI=1S/C26H20N2O6S/c1-33-22-14-17(9-12-21(22)34-15-16-7-10-18(11-8-16)25(31)32)13-20-23(29)27-26(35)28(24(20)30)19-5-3-2-4-6-19/h2-14H,15H2,1H3,(H,31,32)(H,27,29,35)

InChI Key

BAEWVRCZPNAXDJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02085140

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

488.52

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.683

Distribution Coefficient, logD

0.712

Water Solubility, LogSw

-4.17

Polar Surface Area

83.581

Acid Dissociation Constant (pKa)

4.43

Base Dissociation Constant (pKb)

-8.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.70

References: we are preparing a list of scientific research reports with 2897-1478 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2897-1478?
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What is the minimum amount of 2897-1478 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2897-1478
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2897-1478
  • 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 2897-1478 available by request