3699-1663 Screening compound: 2-(4-{[(5E)-1-(4-ethoxyphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl}-2-methoxy-6-(prop-2-en-1-yl)phenoxy)acetic acid

3699-1663 Screening compound: 2-(4-{[(5E)-1-(4-ethoxyphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl}-2-methoxy-6-(prop-2-en-1-yl)phenoxy)acetic acid
3699-1663 Screening compound: 2-(4-{[(5E)-1-(4-ethoxyphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl}-2-methoxy-6-(prop-2-en-1-yl)phenoxy)acetic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 3699-1663
2-(4-{[(5E)-1-(4-ethoxyphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl}-2-methoxy-6-(prop-2-en-1-yl)phenoxy)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

3699-1663

Molecular Formula

C25H24N2O7S (C25 H24 N2 O7 S)

Compound Name

2-(4-{[(5E)-1-(4-ethoxyphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl}-2-methoxy-6-(prop-2-en-1-yl)phenoxy)acetic acid

IUPAC name

2-(4-{[(5E)-1-(4-ethoxyphenyl)-46-dioxo-2-sulfanylidene-13-diazinan-5-ylidene]methyl}-2-methoxy-6-(prop-2-en-1-yl)phenoxy)acetic acid

SMILES

CCOc(cc1)ccc1N(C(/C(/C(N1)=O)=C/c(cc2CC=C)cc(OC)c2OCC(O)=O)=O)C1=S

InChI

InChI=1S/C25H24N2O7S/c1-4-6-16-11-15(13-20(32-3)22(16)34-14-21(28)29)12-19-23(30)26-25(35)27(24(19)31)17-7-9-18(10-8-17)33-5-2/h4,7-13H,1,5-6,14H2,2-3H3,(H,28,29)(H,26,30,35)

InChI Key

HZDDPFLBASSZAM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02624478

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

496.54

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.523

Distribution Coefficient, logD

-0.714

Water Solubility, LogSw

-3.78

Polar Surface Area

91.039

Acid Dissociation Constant (pKa)

3.16

Base Dissociation Constant (pKb)

-7.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

References: we are preparing a list of scientific research reports with 3699-1663 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3699-1663?
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What is the minimum amount of 3699-1663 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3699-1663
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3699-1663
  • 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 3699-1663 available by request