8014-1839 Screening compound: methyl 4-(2-amino-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)-4-oxobutanoate

8014-1839 Screening compound: methyl 4-(2-amino-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)-4-oxobutanoate
8014-1839 Screening compound: methyl 4-(2-amino-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)-4-oxobutanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8014-1839
methyl 4-(2-amino-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)-4-oxobutanoate

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

8014-1839

Molecular Formula

C13H19NO4 (C13 H19 NO4)

Compound Name

methyl 4-(2-amino-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)-4-oxobutanoate

IUPAC name

methyl 4-(2-amino-44-dimethyl-6-oxocyclohex-1-en-1-yl)-4-oxobutanoate

SMILES

CC(C)(C1)CC(N)=C(C(CCC(OC)=O)=O)C1=O

InChI

InChI=1S/C13H19NO4/c1-13(2)6-8(14)12(10(16)7-13)9(15)4-5-11(17)18-3/h4-7,14H2,1-3H3

InChI Key

PFROFQAJNVDOJX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03696350

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

253.3

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

0.850

Distribution Coefficient, logD

0.835

Water Solubility, LogSw

-0.56

Polar Surface Area

68.287

Acid Dissociation Constant (pKa)

8.86

Base Dissociation Constant (pKb)

2.61

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

61.50

8014-1839 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

3D-Diversity Natural-Product-Like Library (18102 compounds)

Antiparasite Library (23996 compounds)

Dark Chemical Matter Library (18430 compounds)

Akt-Targeted Library (14764 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • 3D
  • Pool
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 8014-1839 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8014-1839?
Check Price and Availability of 8014-1839, 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 8014-1839 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8014-1839
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8014-1839
  • 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 8014-1839 available by request