0709-0261 Screening compound: 3-(butylamino)-5,5-dimethylcyclohex-2-en-1-one

0709-0261 Screening compound: 3-(butylamino)-5,5-dimethylcyclohex-2-en-1-one
0709-0261 Screening compound: 3-(butylamino)-5,5-dimethylcyclohex-2-en-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 0709-0261
3-(butylamino)-5,5-dimethylcyclohex-2-en-1-one

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

0709-0261

Molecular Formula

C12H21NO (C12 H21 NO)

Compound Name

3-(butylamino)-5,5-dimethylcyclohex-2-en-1-one

IUPAC name

3-(butylamino)-55-dimethylcyclohex-2-en-1-one

SMILES

CCCCNC(CC(C)(C)C1)=CC1=O

InChI

InChI=1S/C12H21NO/c1-4-5-6-13-10-7-11(14)9-12(2,3)8-10/h7,13H,4-6,8-9H2,1-3H3

InChI Key

RUPJSSMIJPRJDH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00463921

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

195.3

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

2.551

Distribution Coefficient, logD

2.550

Water Solubility, LogSw

-2.42

Polar Surface Area

24.701

Acid Dissociation Constant (pKa)

11.76

Base Dissociation Constant (pKb)

5.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

75.00

0709-0261 in Drug Discovery

Included in Screening Libraries

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 0709-0261 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0709-0261?
Check Price and Availability of 0709-0261, 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 0709-0261 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0709-0261
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0709-0261
  • 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 0709-0261 available by request