4249-0023 Screening compound: (diphenylcarbamoyl)methyl 2-acetamido-4-(methylsulfanyl)butanoate

4249-0023 Screening compound: (diphenylcarbamoyl)methyl 2-acetamido-4-(methylsulfanyl)butanoate
4249-0023 Screening compound: (diphenylcarbamoyl)methyl 2-acetamido-4-(methylsulfanyl)butanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4249-0023
(diphenylcarbamoyl)methyl 2-acetamido-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

4249-0023

Molecular Formula

C21H24N2O4S (C21 H24 N2 O4 S)

Compound Name

(diphenylcarbamoyl)methyl 2-acetamido-4-(methylsulfanyl)butanoate

IUPAC name

(diphenylcarbamoyl)methyl 2-acetamido-4-(methylsulfanyl)butanoate

SMILES

CC(NC(CCSC)C(OCC(N(c1ccccc1)c1ccccc1)=O)=O)=O

InChI

InChI=1S/C21H24N2O4S/c1-16(24)22-19(13-14-28-2)21(26)27-15-20(25)23(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12,19H,13-15H2,1-2H3,(H,22,24)/t19-/m0/s1

InChI Key

RTRQZFNQANULHU-IBGZPJMESA-N

MDL Number (MFCD)

MFCD03140062

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

400.5

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.835

Distribution Coefficient, logD

1.835

Water Solubility, LogSw

-2.22

Polar Surface Area

60.197

Acid Dissociation Constant (pKa)

14.63

Base Dissociation Constant (pKb)

-1.07

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.60

4249-0023 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anti-Aging Library (44940 compounds)

DGK Inhibitors Library (10558 compounds)

Dark Chemical Matter Library (18430 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
  • Pool
Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
Mechanism of action:
  • Epigenetic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 4249-0023 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4249-0023?
Check Price and Availability of 4249-0023, 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 4249-0023 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4249-0023
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4249-0023
  • 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 4249-0023 available by request