8012-8090 Screening compound: 2-(4-ethylphenyl)-2-oxoethyl 2-[(4-methylcyclohexyl)formamido]-3-phenylpropanoate

8012-8090 Screening compound: 2-(4-ethylphenyl)-2-oxoethyl 2-[(4-methylcyclohexyl)formamido]-3-phenylpropanoate
8012-8090 Screening compound: 2-(4-ethylphenyl)-2-oxoethyl 2-[(4-methylcyclohexyl)formamido]-3-phenylpropanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-8090
2-(4-ethylphenyl)-2-oxoethyl 2-[(4-methylcyclohexyl)formamido]-3-phenylpropanoate

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

8012-8090

Molecular Formula

C27H33NO4 (C27 H33 NO4)

Compound Name

2-(4-ethylphenyl)-2-oxoethyl 2-[(4-methylcyclohexyl)formamido]-3-phenylpropanoate

IUPAC name

2-(4-ethylphenyl)-2-oxoethyl 2-[(4-methylcyclohexyl)formamido]-3-phenylpropanoate

SMILES

CCc(cc1)ccc1C(COC(C(Cc1ccccc1)NC(C1CCC(C)CC1)=O)=O)=O

InChI

InChI=1S/C27H33NO4/c1-3-20-11-15-22(16-12-20)25(29)18-32-27(31)24(17-21-7-5-4-6-8-21)28-26(30)23-13-9-19(2)10-14-23/h4-8,11-12,15-16,19,23-24H,3,9-10,13-14,17-18H2,1-2H3,(H,28,30)/t19?,23?,24-/m0/s1

InChI Key

DHCVUADXJFZIIQ-TVNWEXPRSA-N

MDL Number (MFCD)

MFCD03196186

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

435.56

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.861

Distribution Coefficient, logD

5.861

Water Solubility, LogSw

-5.59

Polar Surface Area

58.579

Acid Dissociation Constant (pKa)

12.59

Base Dissociation Constant (pKb)

-2.18

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

44.40

8012-8090 in Drug Discovery

Included in Screening Libraries

ACE2 Library (3043 compounds)

CNS Annotated Library (688 compounds)

CORONAVIRUS Library (20774 compounds)

Human GPCR Annotated Library (5539 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Mechanism of action:
  • Epigenetic
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 8012-8090 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-8090?
Check Price and Availability of 8012-8090, 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 8012-8090 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-8090
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-8090
  • 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 8012-8090 available by request