3966-0153 Screening compound: ethyl 2-(5-chloro-1,3-dioxo-2,3,3a,4,7,7a-hexahydro-1H-isoindol-2-yl)hexanoate

3966-0153 Screening compound: ethyl 2-(5-chloro-1,3-dioxo-2,3,3a,4,7,7a-hexahydro-1H-isoindol-2-yl)hexanoate
3966-0153 Screening compound: ethyl 2-(5-chloro-1,3-dioxo-2,3,3a,4,7,7a-hexahydro-1H-isoindol-2-yl)hexanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3966-0153
ethyl 2-(5-chloro-1,3-dioxo-2,3,3a,4,7,7a-hexahydro-1H-isoindol-2-yl)hexanoate

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

3966-0153

Molecular Formula

C16H22ClNO4 (C16 H22 ClNO4)

Compound Name

ethyl 2-(5-chloro-1,3-dioxo-2,3,3a,4,7,7a-hexahydro-1H-isoindol-2-yl)hexanoate

IUPAC name

ethyl 2-(5-chloro-13-dioxo-233a477a-hexahydro-1H-isoindol-2-yl)hexanoate

SMILES

CCCCC(C(OCC)=O)N(C(C1C2CC(Cl)=CC1)=O)C2=O

InChI

InChI=1S/C16H22ClNO4/c1-3-5-6-13(16(21)22-4-2)18-14(19)11-8-7-10(17)9-12(11)15(18)20/h7,11-13H,3-6,8-9H2,1-2H3

InChI Key

YNZXBFRRCCUBNM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02763602

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

327.81

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.054

Distribution Coefficient, logD

3.054

Water Solubility, LogSw

-3.38

Polar Surface Area

49.634

Acid Dissociation Constant (pKa)

19.12

Base Dissociation Constant (pKb)

-9.94

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

68.80

3966-0153 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Agro:
  • Agro
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 3966-0153 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3966-0153?
Check Price and Availability of 3966-0153, 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 3966-0153 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3966-0153
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3966-0153
  • 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 3966-0153 available by request