4299-0203 Screening compound: 2-(4-{[(5Z)-1-(2H-1,3-benzodioxol-5-yl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}phenoxy)acetic acid

4299-0203 Screening compound: 2-(4-{[(5Z)-1-(2H-1,3-benzodioxol-5-yl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}phenoxy)acetic acid
4299-0203 Screening compound: 2-(4-{[(5Z)-1-(2H-1,3-benzodioxol-5-yl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}phenoxy)acetic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 4299-0203
2-(4-{[(5Z)-1-(2H-1,3-benzodioxol-5-yl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}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

4299-0203

Molecular Formula

C20H14N2O8 (C20 H14 N2 O8)

Compound Name

2-(4-{[(5Z)-1-(2H-1,3-benzodioxol-5-yl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}phenoxy)acetic acid

IUPAC name

2-(4-{[(5Z)-1-(2H-13-benzodioxol-5-yl)-246-trioxo-13-diazinan-5-ylidene]methyl}phenoxy)acetic acid

SMILES

OC(COc1ccc(/C=C(/C(NC(N2c(cc3)cc4c3OCO4)=O)=O)\C2=O)cc1)=O

InChI

InChI=1S/C20H14N2O8/c23-17(24)9-28-13-4-1-11(2-5-13)7-14-18(25)21-20(27)22(19(14)26)12-3-6-15-16(8-12)30-10-29-15/h1-8H,9-10H2,(H,23,24)(H,21,25,27)

InChI Key

RTHMLNZCPJOROH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02628800

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

410.34

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.635

Distribution Coefficient, logD

-2.602

Water Solubility, LogSw

-2.14

Polar Surface Area

106.389

Acid Dissociation Constant (pKa)

3.16

Base Dissociation Constant (pKb)

-5.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

4299-0203 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 4299-0203 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4299-0203?
Check Price and Availability of 4299-0203, 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 4299-0203 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4299-0203
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4299-0203
  • 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 4299-0203 available by request