8008-1200 Screening compound: 5,14-di(2-naphthyl)-9-phenyl-5,14-diazapentacyclo[9.5.2.0~2,10~.0~3,7~.0~12,16~]octadeca-9,17-diene-4,6,13,15-tetraone

8008-1200 Screening compound: 5,14-di(2-naphthyl)-9-phenyl-5,14-diazapentacyclo[9.5.2.0~2,10~.0~3,7~.0~12,16~]octadeca-9,17-diene-4,6,13,15-tetraone
8008-1200 Screening compound: 5,14-di(2-naphthyl)-9-phenyl-5,14-diazapentacyclo[9.5.2.0~2,10~.0~3,7~.0~12,16~]octadeca-9,17-diene-4,6,13,15-tetraone alternative view

Chemical Structure Depiction of ChemDiv screening compound 8008-1200
5,14-di(2-naphthyl)-9-phenyl-5,14-diazapentacyclo[9.5.2.0~2,10~.0~3,7~.0~12,16~]octadeca-9,17-diene-4,6,13,15-tetraone

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

8008-1200

Molecular Formula

C42H30N2O4 (C42 H30 N2 O4)

Compound Name

5,14-di(2-naphthyl)-9-phenyl-5,14-diazapentacyclo[9.5.2.0~2,10~.0~3,7~.0~12,16~]octadeca-9,17-diene-4,6,13,15-tetraone

IUPAC name

514-bis(naphthalen-2-yl)-9-phenyl-514-diazapentacyclo[9.5.2.0^{210}.0^{37}.0^{1216}]octadeca-917-diene-461315-tetrone

SMILES

O=C(C(CC(c1ccccc1)=C1C(C(C2C(N3c4cc5ccccc5cc4)=O)C3=O)C=CC2C11)C1C1=O)N1c1cc2ccccc2cc1

InChI

InChI=1S/C42H30N2O4/c45-39-33-22-32(25-10-2-1-3-11-25)34-30-18-19-31(35(34)38(33)42(48)43(39)28-16-14-23-8-4-6-12-26(23)20-28)37-36(30)40(46)44(41(37)47)29-17-15-24-9-5-7-13-27(24)21-29/h1-21,30-31,33,35-38H,22H2

InChI Key

DNXGTQXYMRVZKP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01230503

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

626.71

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.201

Distribution Coefficient, logD

6.201

Water Solubility, LogSw

-6.88

Polar Surface Area

56.740

Acid Dissociation Constant (pKa)

16.41

Base Dissociation Constant (pKb)

-7.31

Number of Chiral Centers

7.00

Percent sp3 carbon bonding

19.00

8008-1200 in Drug Discovery

Included in Screening Libraries

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

MCL1 Targeted Library (12200 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic

References: we are preparing a list of scientific research reports with 8008-1200 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8008-1200?
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What is the minimum amount of 8008-1200 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8008-1200
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8008-1200
  • 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 8008-1200 available by request