5086-0609 Screening compound: 2-isopropyl-5-methylcyclohexyl 2-(8,9-dibromo-3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-4-yl)acetate

5086-0609 Screening compound: 2-isopropyl-5-methylcyclohexyl 2-(8,9-dibromo-3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-4-yl)acetate
5086-0609 Screening compound: 2-isopropyl-5-methylcyclohexyl 2-(8,9-dibromo-3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-4-yl)acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5086-0609
2-isopropyl-5-methylcyclohexyl 2-(8,9-dibromo-3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-4-yl)acetate

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

5086-0609

Molecular Formula

C21H29Br2NO4 (C21 H29 Br2 NO4)

Compound Name

2-isopropyl-5-methylcyclohexyl 2-(8,9-dibromo-3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-4-yl)acetate

IUPAC name

5-methyl-2-(propan-2-yl)cyclohexyl 2-{89-dibromo-35-dioxo-4-azatricyclo[5.2.1.0^{26}]decan-4-yl}acetate

SMILES

CC(C)C(CCC(C)C1)C1OC(CN(C(C(C(C1)C2Br)C3C1C2Br)=O)C3=O)=O

InChI

InChI=1S/C21H29Br2NO4/c1-9(2)11-5-4-10(3)6-14(11)28-15(25)8-24-20(26)16-12-7-13(17(16)21(24)27)19(23)18(12)22/h9-14,16-19H,4-8H2,1-3H3

InChI Key

ZTWWGNIGPQYILY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01174508

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

519.27

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.398

Distribution Coefficient, logD

4.398

Water Solubility, LogSw

-4.30

Polar Surface Area

50.039

Acid Dissociation Constant (pKa)

18.70

Base Dissociation Constant (pKb)

-8.00

Number of Chiral Centers

9.00

Percent sp3 carbon bonding

85.70

5086-0609 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 5086-0609 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5086-0609?
Check Price and Availability of 5086-0609, 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 5086-0609 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5086-0609
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5086-0609
  • 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 5086-0609 available by request