3739-0010 Screening compound: 2-{2-ethoxy-4-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]phenoxy}acetic acid

3739-0010 Screening compound: 2-{2-ethoxy-4-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]phenoxy}acetic acid
3739-0010 Screening compound: 2-{2-ethoxy-4-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]phenoxy}acetic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 3739-0010
2-{2-ethoxy-4-[(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

3739-0010

Molecular Formula

C15H14N2O7 (C15 H14 N2 O7)

Compound Name

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

IUPAC name

2-{2-ethoxy-4-[(246-trioxo-13-diazinan-5-ylidene)methyl]phenoxy}acetic acid

SMILES

CCOc(cc(C=C(C(NC(N1)=O)=O)C1=O)cc1)c1OCC(O)=O

InChI

InChI=1S/C15H14N2O7/c1-2-23-11-6-8(3-4-10(11)24-7-12(18)19)5-9-13(20)16-15(22)17-14(9)21/h3-6H,2,7H2,1H3,(H,18,19)(H2,16,17,20,21,22)

InChI Key

DXAXOOQVRQXSQL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01448071

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

334.29

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.043

Distribution Coefficient, logD

-4.194

Water Solubility, LogSw

-2.05

Polar Surface Area

105.823

Acid Dissociation Constant (pKa)

3.16

Base Dissociation Constant (pKb)

-6.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

References: we are preparing a list of scientific research reports with 3739-0010 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3739-0010?
Check Price and Availability of 3739-0010, 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 3739-0010 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3739-0010
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3739-0010
  • 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 3739-0010 available by request