4577-0438 Screening compound: N-(2-{[(4-chlorophenyl)methyl]sulfanyl}ethyl)-2-[N-(2,3-dimethylphenyl)methanesulfonamido]acetamide

4577-0438 Screening compound: N-(2-{[(4-chlorophenyl)methyl]sulfanyl}ethyl)-2-[N-(2,3-dimethylphenyl)methanesulfonamido]acetamide
4577-0438 Screening compound: N-(2-{[(4-chlorophenyl)methyl]sulfanyl}ethyl)-2-[N-(2,3-dimethylphenyl)methanesulfonamido]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4577-0438
N-(2-{[(4-chlorophenyl)methyl]sulfanyl}ethyl)-2-[N-(2,3-dimethylphenyl)methanesulfonamido]acetamide

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

4577-0438

Molecular Formula

C20H25ClN2O3S2 (C20 H25 ClN2 O3 S2)

Compound Name

N-(2-{[(4-chlorophenyl)methyl]sulfanyl}ethyl)-2-[N-(2,3-dimethylphenyl)methanesulfonamido]acetamide

IUPAC name

N-(2-{[(4-chlorophenyl)methyl]sulfanyl}ethyl)-2-[N-(23-dimethylphenyl)methanesulfonamido]acetamide

SMILES

Cc1cccc(N(CC(NCCSCc(cc2)ccc2Cl)=O)S(C)(=O)=O)c1C

InChI

InChI=1S/C20H25ClN2O3S2/c1-15-5-4-6-19(16(15)2)23(28(3,25)26)13-20(24)22-11-12-27-14-17-7-9-18(21)10-8-17/h4-10H,11-14H2,1-3H3,(H,22,24)

InChI Key

XVMBTODLADOQAU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03706481

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

441.01

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.783

Distribution Coefficient, logD

3.783

Water Solubility, LogSw

-4.25

Polar Surface Area

55.568

Acid Dissociation Constant (pKa)

14.67

Base Dissociation Constant (pKb)

-1.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.00

4577-0438 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 4577-0438 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4577-0438?
Check Price and Availability of 4577-0438, 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 4577-0438 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4577-0438
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4577-0438
  • 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 4577-0438 available by request