4577-1083 Screening compound: methyl 2-{2-[N-(4-chlorophenyl)4-methoxybenzenesulfonamido]acetamido}benzoate

4577-1083 Screening compound: methyl 2-{2-[N-(4-chlorophenyl)4-methoxybenzenesulfonamido]acetamido}benzoate
4577-1083 Screening compound: methyl 2-{2-[N-(4-chlorophenyl)4-methoxybenzenesulfonamido]acetamido}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4577-1083
methyl 2-{2-[N-(4-chlorophenyl)4-methoxybenzenesulfonamido]acetamido}benzoate

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

4577-1083

Molecular Formula

C23H21ClN2O6S (C23 H21 ClN2 O6 S)

Compound Name

methyl 2-{2-[N-(4-chlorophenyl)4-methoxybenzenesulfonamido]acetamido}benzoate

IUPAC name

methyl 2-{2-[N-(4-chlorophenyl)4-methoxybenzenesulfonamido]acetamido}benzoate

SMILES

COC(c(cccc1)c1NC(CN(c(cc1)ccc1Cl)S(c(cc1)ccc1OC)(=O)=O)=O)=O

InChI

InChI=1S/C23H21ClN2O6S/c1-31-18-11-13-19(14-12-18)33(29,30)26(17-9-7-16(24)8-10-17)15-22(27)25-21-6-4-3-5-20(21)23(28)32-2/h3-14H,15H2,1-2H3,(H,25,27)

InChI Key

DUMAVHCDSYWVPI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03143454

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

488.95

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.380

Distribution Coefficient, logD

4.364

Water Solubility, LogSw

-4.71

Polar Surface Area

82.961

Acid Dissociation Constant (pKa)

8.83

Base Dissociation Constant (pKb)

-2.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.00

4577-1083 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral HBV Library (10007 compounds)

Human Transcription Factors Annotated Library (5098 compounds)

Selective Target Activity Profiling Library (14702 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
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with 4577-1083 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4577-1083?
Check Price and Availability of 4577-1083, 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 4577-1083 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4577-1083
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4577-1083
  • 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 4577-1083 available by request