4120-0274 Screening compound: ethyl 2-(2-aminoacetamido)-4-(methylsulfanyl)butanoate

4120-0274 Screening compound: ethyl 2-(2-aminoacetamido)-4-(methylsulfanyl)butanoate
4120-0274 Screening compound: ethyl 2-(2-aminoacetamido)-4-(methylsulfanyl)butanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4120-0274
ethyl 2-(2-aminoacetamido)-4-(methylsulfanyl)butanoate

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

4120-0274

Molecular Formula

C9H18N2O3S (C9 H18 N2 O3 S)

Compound Name

ethyl 2-(2-aminoacetamido)-4-(methylsulfanyl)butanoate

IUPAC name

ethyl 2-(2-aminoacetamido)-4-(methylsulfanyl)butanoate

SMILES

CCOC(C(CCSC)NC(CN)=O)=O

InChI

InChI=1S/C9H18N2O3S/c1-3-14-9(13)7(4-5-15-2)11-8(12)6-10/h7H,3-6,10H2,1-2H3,(H,11,12)/t7-/m0/s1

InChI Key

ZBKUMGBVZLQGRO-ZETCQYMHSA-N

MDL Number (MFCD)

MFCD01854430

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

234.32

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

-1.071

Distribution Coefficient, logD

-2.014

Water Solubility, LogSw

-1.00

Polar Surface Area

67.026

Acid Dissociation Constant (pKa)

14.63

Base Dissociation Constant (pKb)

8.29

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

77.80

4120-0274 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with 4120-0274 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4120-0274?
Check Price and Availability of 4120-0274, 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 4120-0274 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4120-0274
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4120-0274
  • 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 4120-0274 available by request