2958-7415 Screening compound: 5-{[3-chloro-5-methoxy-4-(2-phenoxyethoxy)phenyl]methylidene}-1,3-dimethyl-1,3-diazinane-2,4,6-trione

2958-7415 Screening compound: 5-{[3-chloro-5-methoxy-4-(2-phenoxyethoxy)phenyl]methylidene}-1,3-dimethyl-1,3-diazinane-2,4,6-trione
2958-7415 Screening compound: 5-{[3-chloro-5-methoxy-4-(2-phenoxyethoxy)phenyl]methylidene}-1,3-dimethyl-1,3-diazinane-2,4,6-trione alternative view

Chemical Structure Depiction of ChemDiv screening compound 2958-7415
5-{[3-chloro-5-methoxy-4-(2-phenoxyethoxy)phenyl]methylidene}-1,3-dimethyl-1,3-diazinane-2,4,6-trione

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

2958-7415

Molecular Formula

C22H21ClN2O6 (C22 H21 ClN2 O6)

Compound Name

5-{[3-chloro-5-methoxy-4-(2-phenoxyethoxy)phenyl]methylidene}-1,3-dimethyl-1,3-diazinane-2,4,6-trione

IUPAC name

5-{[3-chloro-5-methoxy-4-(2-phenoxyethoxy)phenyl]methylidene}-13-dimethyl-13-diazinane-246-trione

SMILES

CN(C(C(C(N1C)=O)=Cc(cc2OC)cc(Cl)c2OCCOc2ccccc2)=O)C1=O

InChI

InChI=1S/C22H21ClN2O6/c1-24-20(26)16(21(27)25(2)22(24)28)11-14-12-17(23)19(18(13-14)29-3)31-10-9-30-15-7-5-4-6-8-15/h4-8,11-13H,9-10H2,1-3H3

InChI Key

FBLFLAAMJGTZNW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01873538

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

444.87

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.740

Distribution Coefficient, logD

3.740

Water Solubility, LogSw

-4.16

Polar Surface Area

67.493

Acid Dissociation Constant (pKa)

30.46

Base Dissociation Constant (pKb)

-7.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

References: we are preparing a list of scientific research reports with 2958-7415 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2958-7415?
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What is the minimum amount of 2958-7415 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2958-7415
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2958-7415
  • 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 2958-7415 available by request