2237-1588 Screening compound: 2-methoxy-4-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]phenyl propanoate

2237-1588 Screening compound: 2-methoxy-4-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]phenyl propanoate
2237-1588 Screening compound: 2-methoxy-4-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]phenyl propanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2237-1588
2-methoxy-4-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]phenyl propanoate

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

2237-1588

Molecular Formula

C15H14N2O6 (C15 H14 N2 O6)

Compound Name

2-methoxy-4-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]phenyl propanoate

IUPAC name

2-methoxy-4-[(246-trioxo-13-diazinan-5-ylidene)methyl]phenyl propanoate

SMILES

CCC(Oc(ccc(C=C(C(NC(N1)=O)=O)C1=O)c1)c1OC)=O

InChI

InChI=1S/C15H14N2O6/c1-3-12(18)23-10-5-4-8(7-11(10)22-2)6-9-13(19)16-15(21)17-14(9)20/h4-7H,3H2,1-2H3,(H2,16,17,19,20,21)

InChI Key

RCIICFNIDVBOQF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01190957

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

318.29

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.929

Distribution Coefficient, logD

0.582

Water Solubility, LogSw

-2.22

Polar Surface Area

90.415

Acid Dissociation Constant (pKa)

7.31

Base Dissociation Constant (pKb)

-6.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

2237-1588 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 2237-1588 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2237-1588?
Check Price and Availability of 2237-1588, 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 2237-1588 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2237-1588
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2237-1588
  • 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 2237-1588 available by request