4644-0056 Screening compound: 5,12-bis(4-methoxyphenyl)-5,12-diazapentacyclo[7.5.2.0~2,8~.0~3,7~.0~10,14~]hexadec-15-ene-4,6,11,13-tetraone

4644-0056 Screening compound: 5,12-bis(4-methoxyphenyl)-5,12-diazapentacyclo[7.5.2.0~2,8~.0~3,7~.0~10,14~]hexadec-15-ene-4,6,11,13-tetraone
4644-0056 Screening compound: 5,12-bis(4-methoxyphenyl)-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 4644-0056
5,12-bis(4-methoxyphenyl)-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

4644-0056

Molecular Formula

C28H24N2O6 (C28 H24 N2 O6)

Compound Name

5,12-bis(4-methoxyphenyl)-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-bis(4-methoxyphenyl)-512-diazapentacyclo[7.5.2.0^{28}.0^{37}.0^{1014}]hexadec-15-ene-461113-tetrone

SMILES

COc(cc1)ccc1N(C(C(C12)C3C2C(C2C(N4c(cc5)ccc5OC)=O)C=CC1C2C4=O)=O)C3=O

InChI

InChI=1S/C28H24N2O6/c1-35-15-7-3-13(4-8-15)29-25(31)21-17-11-12-18(22(21)26(29)32)20-19(17)23-24(20)28(34)30(27(23)33)14-5-9-16(36-2)10-6-14/h3-12,17-24H,1-2H3

InChI Key

JHQCDAUEJOUSCU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01897749

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

484.51

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.577

Distribution Coefficient, logD

1.577

Water Solubility, LogSw

-1.87

Polar Surface Area

72.973

Acid Dissociation Constant (pKa)

17.47

Base Dissociation Constant (pKb)

-4.80

Number of Chiral Centers

8.00

Percent sp3 carbon bonding

35.70

4644-0056 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 4644-0056 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4644-0056?
Check Price and Availability of 4644-0056, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 4644-0056 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4644-0056
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4644-0056
  • 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 4644-0056 available by request