2766-0001 Screening compound: 5,12-bis[3-(diethylamino)propyl]-5,12-diazapentacyclo[7.5.2.0~2,8~.0~3,7~.0~10,14~]hexadec-15-ene-4,6,11,13-tetraone

2766-0001 Screening compound: 5,12-bis[3-(diethylamino)propyl]-5,12-diazapentacyclo[7.5.2.0~2,8~.0~3,7~.0~10,14~]hexadec-15-ene-4,6,11,13-tetraone
2766-0001 Screening compound: 5,12-bis[3-(diethylamino)propyl]-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 2766-0001
5,12-bis[3-(diethylamino)propyl]-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

2766-0001

Molecular Formula

C28H42N4O4 (C28 H42 N4 O4)

Compound Name

5,12-bis[3-(diethylamino)propyl]-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[3-(diethylamino)propyl]-512-diazapentacyclo[7.5.2.0^{28}.0^{37}.0^{1014}]hexadec-15-ene-461113-tetrone

SMILES

CCN(CC)CCCN(C(C(C12)C3C2C(C2C(N4CCCN(CC)CC)=O)C=CC1C2C4=O)=O)C3=O

InChI

InChI=1S/C28H42N4O4/c1-5-29(6-2)13-9-15-31-25(33)21-17-11-12-18(22(21)26(31)34)20-19(17)23-24(20)28(36)32(27(23)35)16-10-14-30(7-3)8-4/h11-12,17-24H,5-10,13-16H2,1-4H3

InChI Key

RGVFOJQGMLCLTE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04062337

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

498.67

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.133

Distribution Coefficient, logD

-1.703

Water Solubility, LogSw

-1.05

Polar Surface Area

66.431

Acid Dissociation Constant (pKa)

19.21

Base Dissociation Constant (pKb)

10.24

Number of Chiral Centers

8.00

Percent sp3 carbon bonding

78.60

2766-0001 in Drug Discovery

Included in Screening Libraries

Autophagy-Targeted Library (4564 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system

References: we are preparing a list of scientific research reports with 2766-0001 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2766-0001?
Check Price and Availability of 2766-0001, 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 2766-0001 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2766-0001
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2766-0001
  • 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 2766-0001 available by request