8008-1623 Screening compound: phenyl 4,10-dibenzyl-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

8008-1623 Screening compound: phenyl 4,10-dibenzyl-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
8008-1623 Screening compound: phenyl 4,10-dibenzyl-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 8008-1623
phenyl 4,10-dibenzyl-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

8008-1623

Molecular Formula

C35H30N2O6 (C35 H30 N2 O6)

Compound Name

phenyl 4,10-dibenzyl-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

phenyl 410-dibenzyl-114-dimethyl-35911-tetraoxo-410-diazatetracyclo[5.5.2.0^{26}.0^{812}]tetradec-13-ene-13-carboxylate

SMILES

CC(C(C1C(N2Cc3ccccc3)=O)C2=O)(C2C(N3Cc4ccccc4)=O)C(C(Oc4ccccc4)=O)=C(C)C1C2C3=O

InChI

InChI=1S/C35H30N2O6/c1-20-24-25-28(32(40)36(30(25)38)18-21-12-6-3-7-13-21)35(2,27(20)34(42)43-23-16-10-5-11-17-23)29-26(24)31(39)37(33(29)41)19-22-14-8-4-9-15-22/h3-17,24-26,28-29H,18-19H2,1-2H3

InChI Key

PDZTUQJALWTTDX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00485991

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

574.63

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.896

Distribution Coefficient, logD

3.896

Water Solubility, LogSw

-4.17

Polar Surface Area

79.235

Acid Dissociation Constant (pKa)

17.13

Base Dissociation Constant (pKb)

-11.48

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

28.60

8008-1623 in Drug Discovery

Included in Screening Libraries

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

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with 8008-1623 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 8008-1623 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8008-1623
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8008-1623
  • 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 8008-1623 available by request