3406-0397 Screening compound: ethyl 4,10-bis(3-chlorophenyl)-1,14-dimethyl-3,5,9,11-tetraoxo-4,10-diazatetracyclo[5.5.2.0~2,6~.0~8,12~]tetradec-13-ene-13-carboxylate

3406-0397 Screening compound: ethyl 4,10-bis(3-chlorophenyl)-1,14-dimethyl-3,5,9,11-tetraoxo-4,10-diazatetracyclo[5.5.2.0~2,6~.0~8,12~]tetradec-13-ene-13-carboxylate
3406-0397 Screening compound: ethyl 4,10-bis(3-chlorophenyl)-1,14-dimethyl-3,5,9,11-tetraoxo-4,10-diazatetracyclo[5.5.2.0~2,6~.0~8,12~]tetradec-13-ene-13-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3406-0397
ethyl 4,10-bis(3-chlorophenyl)-1,14-dimethyl-3,5,9,11-tetraoxo-4,10-diazatetracyclo[5.5.2.0~2,6~.0~8,12~]tetradec-13-ene-13-carboxylate

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

3406-0397

Molecular Formula

C29H24Cl2N2O6 (C29 H24 Cl2 N2 O6)

Compound Name

ethyl 4,10-bis(3-chlorophenyl)-1,14-dimethyl-3,5,9,11-tetraoxo-4,10-diazatetracyclo[5.5.2.0~2,6~.0~8,12~]tetradec-13-ene-13-carboxylate

IUPAC name

ethyl 410-bis(3-chlorophenyl)-114-dimethyl-35911-tetraoxo-410-diazatetracyclo[5.5.2.0^{26}.0^{812}]tetradec-13-ene-13-carboxylate

SMILES

CCOC(C(C(C)(C(C1C(N2c3cc(Cl)ccc3)=O)C2=O)C2C(N3c4cccc(Cl)c4)=O)=C(C)C1C2C3=O)=O

InChI

InChI=1S/C29H24Cl2N2O6/c1-4-39-28(38)21-13(2)18-19-22(26(36)32(24(19)34)16-9-5-7-14(30)11-16)29(21,3)23-20(18)25(35)33(27(23)37)17-10-6-8-15(31)12-17/h5-12,18-20,22-23H,4H2,1-3H3

InChI Key

TWEDKYQDWWJBSK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01070761

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

567.42

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.237

Distribution Coefficient, logD

3.237

Water Solubility, LogSw

-3.41

Polar Surface Area

78.388

Acid Dissociation Constant (pKa)

15.59

Base Dissociation Constant (pKb)

-9.33

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

34.50

References: we are preparing a list of scientific research reports with 3406-0397 chemical compound. It will be published here after verification.

Frequently Asked Questions

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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3406-0397
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3406-0397
  • 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 3406-0397 available by request