4567-0303 Screening compound: 2-{N-[(4-bromophenyl)methyl]benzenesulfonamido}-N-[(oxolan-2-yl)methyl]acetamide

4567-0303 Screening compound: 2-{N-[(4-bromophenyl)methyl]benzenesulfonamido}-N-[(oxolan-2-yl)methyl]acetamide
4567-0303 Screening compound: 2-{N-[(4-bromophenyl)methyl]benzenesulfonamido}-N-[(oxolan-2-yl)methyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4567-0303
2-{N-[(4-bromophenyl)methyl]benzenesulfonamido}-N-[(oxolan-2-yl)methyl]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

4567-0303

Molecular Formula

C20H23BrN2O4S (C20 H23 BrN2 O4 S)

Compound Name

2-{N-[(4-bromophenyl)methyl]benzenesulfonamido}-N-[(oxolan-2-yl)methyl]acetamide

IUPAC name

2-{N-[(4-bromophenyl)methyl]benzenesulfonamido}-N-[(oxolan-2-yl)methyl]acetamide

SMILES

O=C(CN(Cc(cc1)ccc1Br)S(c1ccccc1)(=O)=O)NCC1OCCC1

InChI

InChI=1S/C20H23BrN2O4S/c21-17-10-8-16(9-11-17)14-23(28(25,26)19-6-2-1-3-7-19)15-20(24)22-13-18-5-4-12-27-18/h1-3,6-11,18H,4-5,12-15H2,(H,22,24)/t18-/m1/s1

InChI Key

NBCUSWDHCRGAES-GOSISDBHSA-N

MDL Number (MFCD)

MFCD03142107

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

467.38

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.871

Distribution Coefficient, logD

2.871

Water Solubility, LogSw

-3.33

Polar Surface Area

64.468

Acid Dissociation Constant (pKa)

12.55

Base Dissociation Constant (pKb)

-1.46

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

35.00

4567-0303 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

3D-Pharmacophore Based Diversity Library (49813 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

References: we are preparing a list of scientific research reports with 4567-0303 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4567-0303?
Check Price and Availability of 4567-0303, 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 4567-0303 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4567-0303
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4567-0303
  • 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 4567-0303 available by request