2897-1537 Screening compound: 2-(4-{[(5E)-1-(4-ethylphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl}-2-methoxyphenoxy)acetic acid

2897-1537 Screening compound: 2-(4-{[(5E)-1-(4-ethylphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl}-2-methoxyphenoxy)acetic acid
2897-1537 Screening compound: 2-(4-{[(5E)-1-(4-ethylphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl}-2-methoxyphenoxy)acetic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 2897-1537
2-(4-{[(5E)-1-(4-ethylphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl}-2-methoxyphenoxy)acetic 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

2897-1537

Molecular Formula

C22H20N2O6S (C22 H20 N2 O6 S)

Compound Name

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

IUPAC name

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

SMILES

CCc(cc1)ccc1N(C(/C(/C(N1)=O)=C/c(cc2)cc(OC)c2OCC(O)=O)=O)C1=S

InChI

InChI=1S/C22H20N2O6S/c1-3-13-4-7-15(8-5-13)24-21(28)16(20(27)23-22(24)31)10-14-6-9-17(18(11-14)29-2)30-12-19(25)26/h4-11H,3,12H2,1-2H3,(H,25,26)(H,23,27,31)

InChI Key

SNMLDZJGIHZDMR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02085153

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

440.48

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

2.763

Distribution Coefficient, logD

-1.474

Water Solubility, LogSw

-3.23

Polar Surface Area

83.828

Acid Dissociation Constant (pKa)

3.16

Base Dissociation Constant (pKb)

-8.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

References: we are preparing a list of scientific research reports with 2897-1537 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2897-1537?
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What is the minimum amount of 2897-1537 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2897-1537
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2897-1537
  • 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 2897-1537 available by request