E470-1211 Screening compound: 4-ACETYL-2-METHYL-N6-(2-METHYLCYCLOHEXYL)-3

E470-1211 Screening compound: 4-ACETYL-2-METHYL-N6-(2-METHYLCYCLOHEXYL)-3
E470-1211 Screening compound: 4-ACETYL-2-METHYL-N6-(2-METHYLCYCLOHEXYL)-3 alternative view

Chemical Structure Depiction of ChemDiv screening compound E470-1211
4-ACETYL-2-METHYL-N6-(2-METHYLCYCLOHEXYL)-3

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

E470-1211

Molecular Formula

C18H26N2O3S2 (C18 H26 N2 O3 S2)

Compound Name

4-ACETYL-2-METHYL-N6-(2-METHYLCYCLOHEXYL)-3

IUPAC name

n/a

SMILES

CC(CCCC1)C1NS(c(cc1)cc2c1SC(C)CN2C(C)=O)(=O)=O

InChI

InChI=1S/C18H26N2O3S2/c1-12-6-4-5-7-16(12)19-25(22,23)15-8-9-18-17(10-15)20(14(3)21)11-13(2)24-18/h8-10,12-13,16,19H,4-7,11H2,1-3H3

InChI Key

LTPVBTXVQWEYSE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14854986

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

382.55

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.720

Distribution Coefficient, logD

3.720

Water Solubility, LogSw

-3.95

Polar Surface Area

58.311

Acid Dissociation Constant (pKa)

11.11

Base Dissociation Constant (pKb)

-3.29

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

13.00

E470-1211 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with E470-1211 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E470-1211?
Check Price and Availability of E470-1211, 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 E470-1211 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E470-1211
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E470-1211
  • 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 E470-1211 available by request