3714-0267 Screening compound: ethyl 2-{4-[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]-2-ethoxyphenoxy}acetate

3714-0267 Screening compound: ethyl 2-{4-[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]-2-ethoxyphenoxy}acetate
3714-0267 Screening compound: ethyl 2-{4-[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]-2-ethoxyphenoxy}acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3714-0267
ethyl 2-{4-[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]-2-ethoxyphenoxy}acetate

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

3714-0267

Molecular Formula

C19H22N2O7 (C19 H22 N2 O7)

Compound Name

ethyl 2-{4-[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]-2-ethoxyphenoxy}acetate

IUPAC name

ethyl 2-{4-[(13-dimethyl-246-trioxo-13-diazinan-5-ylidene)methyl]-2-ethoxyphenoxy}acetate

SMILES

CCOC(COc(ccc(C=C(C(N(C)C(N1C)=O)=O)C1=O)c1)c1OCC)=O

InChI

InChI=1S/C19H22N2O7/c1-5-26-15-10-12(7-8-14(15)28-11-16(22)27-6-2)9-13-17(23)20(3)19(25)21(4)18(13)24/h7-10H,5-6,11H2,1-4H3

InChI Key

CDDQEBIMRKJCRX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02624579

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

390.39

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.326

Distribution Coefficient, logD

1.326

Water Solubility, LogSw

-1.93

Polar Surface Area

80.080

Acid Dissociation Constant (pKa)

24.85

Base Dissociation Constant (pKb)

-7.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.80

3714-0267 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 3714-0267 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3714-0267?
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What is the minimum amount of 3714-0267 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3714-0267
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3714-0267
  • 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 3714-0267 available by request