3699-1487 Screening compound: 2-(4-{[(5E)-4,6-dioxo-1-phenyl-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl}-2-methoxy-6-(prop-2-en-1-yl)phenoxy)acetic acid

3699-1487 Screening compound: 2-(4-{[(5E)-4,6-dioxo-1-phenyl-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl}-2-methoxy-6-(prop-2-en-1-yl)phenoxy)acetic acid
3699-1487 Screening compound: 2-(4-{[(5E)-4,6-dioxo-1-phenyl-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 3699-1487
2-(4-{[(5E)-4,6-dioxo-1-phenyl-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

3699-1487

Molecular Formula

C23H20N2O6S (C23 H20 N2 O6 S)

Compound Name

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

IUPAC name

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

SMILES

COc(cc(/C=C(\C(NC(N1c2ccccc2)=S)=O)/C1=O)cc1CC=C)c1OCC(O)=O

InChI

InChI=1S/C23H20N2O6S/c1-3-7-15-10-14(12-18(30-2)20(15)31-13-19(26)27)11-17-21(28)24-23(32)25(22(17)29)16-8-5-4-6-9-16/h3-6,8-12H,1,7,13H2,2H3,(H,26,27)(H,24,28,32)

InChI Key

DYNWVEMNMYMQCS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02624464

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

452.49

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.033

Distribution Coefficient, logD

-1.204

Water Solubility, LogSw

-3.53

Polar Surface Area

83.915

Acid Dissociation Constant (pKa)

3.16

Base Dissociation Constant (pKb)

-8.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.00

References: we are preparing a list of scientific research reports with 3699-1487 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3699-1487?
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What is the minimum amount of 3699-1487 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3699-1487
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3699-1487
  • 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 3699-1487 available by request