2995-0491 Screening compound: N-[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-2-hydroxypropyl]-4-methyl-N-phenylbenzene-1-sulfonamide

2995-0491 Screening compound: N-[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-2-hydroxypropyl]-4-methyl-N-phenylbenzene-1-sulfonamide
2995-0491 Screening compound: N-[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-2-hydroxypropyl]-4-methyl-N-phenylbenzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2995-0491
N-[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-2-hydroxypropyl]-4-methyl-N-phenylbenzene-1-sulfonamide

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

2995-0491

Molecular Formula

C21H25N3O5S (C21 H25 N3 O5 S)

Compound Name

N-[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-2-hydroxypropyl]-4-methyl-N-phenylbenzene-1-sulfonamide

IUPAC name

N-[3-(44-dimethyl-25-dioxoimidazolidin-1-yl)-2-hydroxypropyl]-4-methyl-N-phenylbenzene-1-sulfonamide

SMILES

CC(C)(C(N1CC(CN(c2ccccc2)S(c2ccc(C)cc2)(=O)=O)O)=O)NC1=O

InChI

InChI=1S/C21H25N3O5S/c1-15-9-11-18(12-10-15)30(28,29)24(16-7-5-4-6-8-16)14-17(25)13-23-19(26)21(2,3)22-20(23)27/h4-12,17,25H,13-14H2,1-3H3,(H,22,27)/t17-/m1/s1

InChI Key

JPDBIVZUEGUBKQ-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD00523844

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

431.51

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.247

Distribution Coefficient, logD

2.246

Water Solubility, LogSw

-2.82

Polar Surface Area

89.564

Acid Dissociation Constant (pKa)

10.97

Base Dissociation Constant (pKb)

-2.83

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

2995-0491 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

3D-Pharmacophore Based Diversity Library (49813 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 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 2995-0491 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2995-0491?
Check Price and Availability of 2995-0491, 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 2995-0491 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2995-0491
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2995-0491
  • 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 2995-0491 available by request