8020-3364 Screening compound: diethyl 2,6-bis[(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)methyl]-4-phenyl-1,4-dihydro-3,5-pyridinedicarboxylate

8020-3364 Screening compound: diethyl 2,6-bis[(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)methyl]-4-phenyl-1,4-dihydro-3,5-pyridinedicarboxylate
8020-3364 Screening compound: diethyl 2,6-bis[(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)methyl]-4-phenyl-1,4-dihydro-3,5-pyridinedicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8020-3364
diethyl 2,6-bis[(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)methyl]-4-phenyl-1,4-dihydro-3,5-pyridinedicarboxylate

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

8020-3364

Molecular Formula

C41H47N5O6 (C41 H47 N5 O6)

Compound Name

diethyl 2,6-bis[(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)methyl]-4-phenyl-1,4-dihydro-3,5-pyridinedicarboxylate

IUPAC name

35-diethyl 26-bis({6-oxo-711-diazatricyclo[7.3.1.0^{27}]trideca-24-dien-11-yl}methyl)-4-phenyl-14-dihydropyridine-35-dicarboxylate

SMILES

CCOC(C(C1c2ccccc2)=C(CN(CC(C2)CN34)CC2C4=CC=CC3=O)NC(CN(CC(C2)CN34)CC2C4=CC=CC3=O)=C1C(OCC)=O)=O

InChI

InChI=1S/C41H47N5O6/c1-3-51-40(49)38-31(24-43-18-26-16-29(22-43)33-12-8-14-35(47)45(33)20-26)42-32(39(41(50)52-4-2)37(38)28-10-6-5-7-11-28)25-44-19-27-17-30(23-44)34-13-9-15-36(48)46(34)21-27/h5-15,26-27,29-30,37,42H,3-4,16-25H2,1-2H3

InChI Key

REVLNVASBNRPMS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD25975294

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

705.85

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

4.978

Distribution Coefficient, logD

4.978

Water Solubility, LogSw

-4.52

Polar Surface Area

91.938

Acid Dissociation Constant (pKa)

-0.84

Base Dissociation Constant (pKb)

8.53

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

46.30

References: we are preparing a list of scientific research reports with 8020-3364 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8020-3364?
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What is the minimum amount of 8020-3364 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8020-3364
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8020-3364
  • 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 8020-3364 available by request