4031-2690 Screening compound: N-[(4-chlorophenyl)methyl]-2-[N-(2-phenylethyl)4-bromobenzenesulfonamido]acetamide

4031-2690 Screening compound: N-[(4-chlorophenyl)methyl]-2-[N-(2-phenylethyl)4-bromobenzenesulfonamido]acetamide
4031-2690 Screening compound: N-[(4-chlorophenyl)methyl]-2-[N-(2-phenylethyl)4-bromobenzenesulfonamido]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4031-2690
N-[(4-chlorophenyl)methyl]-2-[N-(2-phenylethyl)4-bromobenzenesulfonamido]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

4031-2690

Molecular Formula

C23H22BrClN2O3S (C23 H22 BrClN2 O3 S)

Compound Name

N-[(4-chlorophenyl)methyl]-2-[N-(2-phenylethyl)4-bromobenzenesulfonamido]acetamide

IUPAC name

N-[(4-chlorophenyl)methyl]-2-[N-(2-phenylethyl)4-bromobenzenesulfonamido]acetamide

SMILES

O=C(CN(CCc1ccccc1)S(c(cc1)ccc1Br)(=O)=O)NCc(cc1)ccc1Cl

InChI

InChI=1S/C23H22BrClN2O3S/c24-20-8-12-22(13-9-20)31(29,30)27(15-14-18-4-2-1-3-5-18)17-23(28)26-16-19-6-10-21(25)11-7-19/h1-13H,14-17H2,(H,26,28)

InChI Key

TVVROGLWGGJCOO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01901638

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

521.86

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

5.422

Distribution Coefficient, logD

5.422

Water Solubility, LogSw

-5.94

Polar Surface Area

55.792

Acid Dissociation Constant (pKa)

11.08

Base Dissociation Constant (pKb)

-3.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.40

4031-2690 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Human Receptors Annotated Library (5376 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 4031-2690 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4031-2690?
Check Price and Availability of 4031-2690, 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 4031-2690 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4031-2690
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4031-2690
  • 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 4031-2690 available by request