3966-0171 Screening compound: 5,12-diphenyl-5,12-diazapentacyclo[7.5.2.0~2,8~.0~3,7~.0~10,14~]hexadec-15-ene-4,6,11,13-tetraone

3966-0171 Screening compound: 5,12-diphenyl-5,12-diazapentacyclo[7.5.2.0~2,8~.0~3,7~.0~10,14~]hexadec-15-ene-4,6,11,13-tetraone
3966-0171 Screening compound: 5,12-diphenyl-5,12-diazapentacyclo[7.5.2.0~2,8~.0~3,7~.0~10,14~]hexadec-15-ene-4,6,11,13-tetraone alternative view

Chemical Structure Depiction of ChemDiv screening compound 3966-0171
5,12-diphenyl-5,12-diazapentacyclo[7.5.2.0~2,8~.0~3,7~.0~10,14~]hexadec-15-ene-4,6,11,13-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

3966-0171

Molecular Formula

C26H20N2O4 (C26 H20 N2 O4)

Compound Name

5,12-diphenyl-5,12-diazapentacyclo[7.5.2.0~2,8~.0~3,7~.0~10,14~]hexadec-15-ene-4,6,11,13-tetraone

IUPAC name

512-diphenyl-512-diazapentacyclo[7.5.2.0^{28}.0^{37}.0^{1014}]hexadec-15-ene-461113-tetrone

SMILES

O=C(C(C(C12)C(C3C(N4c5ccccc5)=O)C=CC1C3C4=O)C2C1=O)N1c1ccccc1

InChI

InChI=1S/C26H20N2O4/c29-23-19-15-11-12-16(20(19)24(30)27(23)13-7-3-1-4-8-13)18-17(15)21-22(18)26(32)28(25(21)31)14-9-5-2-6-10-14/h1-12,15-22H

InChI Key

SFQRCMQHKXJWKY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02043266

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

424.46

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.369

Distribution Coefficient, logD

1.369

Water Solubility, LogSw

-1.60

Polar Surface Area

57.886

Acid Dissociation Constant (pKa)

17.47

Base Dissociation Constant (pKb)

-5.63

Number of Chiral Centers

8.00

Percent sp3 carbon bonding

30.80

3966-0171 in Drug Discovery

Included in Screening Libraries

Autophagy-Targeted Library (4564 compounds)

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 3966-0171 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3966-0171?
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What is the minimum amount of 3966-0171 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3966-0171
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3966-0171
  • 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 3966-0171 available by request