4036-0016 Screening compound: 4-[1-({4-[2-(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-8-en-4-yl)hexanoyl]piperazino}carbonyl)pentyl]-4-azatricyclo[5.2.1.0~2,6~]dec-8-ene-3,5-dione

4036-0016 Screening compound: 4-[1-({4-[2-(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-8-en-4-yl)hexanoyl]piperazino}carbonyl)pentyl]-4-azatricyclo[5.2.1.0~2,6~]dec-8-ene-3,5-dione
4036-0016 Screening compound: 4-[1-({4-[2-(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-8-en-4-yl)hexanoyl]piperazino}carbonyl)pentyl]-4-azatricyclo[5.2.1.0~2,6~]dec-8-ene-3,5-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 4036-0016
4-[1-({4-[2-(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-8-en-4-yl)hexanoyl]piperazino}carbonyl)pentyl]-4-azatricyclo[5.2.1.0~2,6~]dec-8-ene-3,5-dione

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

4036-0016

Molecular Formula

C34H44N4O6 (C34 H44 N4 O6)

Compound Name

4-[1-({4-[2-(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-8-en-4-yl)hexanoyl]piperazino}carbonyl)pentyl]-4-azatricyclo[5.2.1.0~2,6~]dec-8-ene-3,5-dione

IUPAC name

4-{1-[4-(2-{35-dioxo-4-azatricyclo[5.2.1.0^{26}]dec-8-en-4-yl}hexanoyl)piperazin-1-yl]-1-oxohexan-2-yl}-4-azatricyclo[5.2.1.0^{26}]dec-8-ene-35-dione

SMILES

CCCCC(C(N(CC1)CCN1C(C(CCCC)N(C(C1C2C3C=CC1C3)=O)C2=O)=O)=O)N(C(C1C2C3C=CC1C3)=O)C2=O

InChI

InChI=1S/C34H44N4O6/c1-3-5-7-23(37-31(41)25-19-9-10-20(17-19)26(25)32(37)42)29(39)35-13-15-36(16-14-35)30(40)24(8-6-4-2)38-33(43)27-21-11-12-22(18-21)28(27)34(38)44/h9-12,19-28H,3-8,13-18H2,1-2H3

InChI Key

LMDFRCCDJMVENG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02764196

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

604.75

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.303

Distribution Coefficient, logD

2.303

Water Solubility, LogSw

-2.03

Polar Surface Area

91.932

Acid Dissociation Constant (pKa)

18.73

Base Dissociation Constant (pKb)

-0.58

Number of Chiral Centers

10.00

Percent sp3 carbon bonding

70.60

4036-0016 in Drug Discovery

Included in Screening Libraries

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

Regenerative Medicine Focused Library (23016 compounds)

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 4036-0016 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4036-0016?
Check Price and Availability of 4036-0016, 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 4036-0016 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4036-0016
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4036-0016
  • 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 4036-0016 available by request