C636-1758 Screening compound: 2-{3-[(2H-1,3-benzodioxol-5-yl)methyl]-1-(4-fluorophenyl)-2,5-dioxoimidazolidin-4-yl}-N-(4-chlorophenyl)acetamide

C636-1758 Screening compound: 2-{3-[(2H-1,3-benzodioxol-5-yl)methyl]-1-(4-fluorophenyl)-2,5-dioxoimidazolidin-4-yl}-N-(4-chlorophenyl)acetamide
C636-1758 Screening compound: 2-{3-[(2H-1,3-benzodioxol-5-yl)methyl]-1-(4-fluorophenyl)-2,5-dioxoimidazolidin-4-yl}-N-(4-chlorophenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C636-1758
2-{3-[(2H-1,3-benzodioxol-5-yl)methyl]-1-(4-fluorophenyl)-2,5-dioxoimidazolidin-4-yl}-N-(4-chlorophenyl)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

C636-1758

Molecular Formula

C25H19ClFN3O5 (C25 H19 ClFN3 O5)

Compound Name

2-{3-[(2H-1,3-benzodioxol-5-yl)methyl]-1-(4-fluorophenyl)-2,5-dioxoimidazolidin-4-yl}-N-(4-chlorophenyl)acetamide

IUPAC name

2-{3-[(2H-13-benzodioxol-5-yl)methyl]-1-(4-fluorophenyl)-25-dioxoimidazolidin-4-yl}-N-(4-chlorophenyl)acetamide

SMILES

O=C(CC(C(N1c(cc2)ccc2F)=O)N(Cc(cc2)cc3c2OCO3)C1=O)Nc(cc1)ccc1Cl

InChI

InChI=1S/C25H19ClFN3O5/c26-16-2-6-18(7-3-16)28-23(31)12-20-24(32)30(19-8-4-17(27)5-9-19)25(33)29(20)13-15-1-10-21-22(11-15)35-14-34-21/h1-11,20H,12-14H2,(H,28,31)/t20-/m0/s1

InChI Key

KLLYGZDHTPSGKX-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD06165114

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

495.89

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.814

Distribution Coefficient, logD

3.813

Water Solubility, LogSw

-4.48

Polar Surface Area

71.820

Acid Dissociation Constant (pKa)

10.39

Base Dissociation Constant (pKb)

-0.04

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

16.00

C636-1758 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Human Proteases Annotated Library (2868 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

References: we are preparing a list of scientific research reports with C636-1758 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C636-1758?
Check Price and Availability of C636-1758, 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 C636-1758 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C636-1758
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C636-1758
  • 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 C636-1758 available by request