3699-1271 Screening compound: 2-(2-methoxy-4-{[(5E)-1-(4-methoxyphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl}-6-(prop-2-en-1-yl)phenoxy)acetic acid

3699-1271 Screening compound: 2-(2-methoxy-4-{[(5E)-1-(4-methoxyphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl}-6-(prop-2-en-1-yl)phenoxy)acetic acid
3699-1271 Screening compound: 2-(2-methoxy-4-{[(5E)-1-(4-methoxyphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl}-6-(prop-2-en-1-yl)phenoxy)acetic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 3699-1271
2-(2-methoxy-4-{[(5E)-1-(4-methoxyphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl}-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

3699-1271

Molecular Formula

C24H22N2O7S (C24 H22 N2 O7 S)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C24H22N2O7S/c1-4-5-15-10-14(12-19(32-3)21(15)33-13-20(27)28)11-18-22(29)25-24(34)26(23(18)30)16-6-8-17(31-2)9-7-16/h4,6-12H,1,5,13H2,2-3H3,(H,27,28)(H,25,29,34)

InChI Key

OUOUIGTUCVMDKL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02624446

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

482.51

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.137

Distribution Coefficient, logD

-1.100

Water Solubility, LogSw

-3.57

Polar Surface Area

91.459

Acid Dissociation Constant (pKa)

3.16

Base Dissociation Constant (pKb)

-7.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

References: we are preparing a list of scientific research reports with 3699-1271 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3699-1271?
Check Price and Availability of 3699-1271, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 3699-1271 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3699-1271
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3699-1271
  • 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 3699-1271 available by request