C636-1757 Screening compound: 2-{3-[(2H-1,3-BENZODIOXOL-5-YL)METHYL]-1-(4-FLUOROPHENYL)-2,5-DIOXOIMIDAZOLIDIN-4-YL}-N-(4-FLUOROPHENYL)ACETAMIDE

C636-1757 Screening compound: 2-{3-[(2H-1,3-BENZODIOXOL-5-YL)METHYL]-1-(4-FLUOROPHENYL)-2,5-DIOXOIMIDAZOLIDIN-4-YL}-N-(4-FLUOROPHENYL)ACETAMIDE
C636-1757 Screening compound: 2-{3-[(2H-1,3-BENZODIOXOL-5-YL)METHYL]-1-(4-FLUOROPHENYL)-2,5-DIOXOIMIDAZOLIDIN-4-YL}-N-(4-FLUOROPHENYL)ACETAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound C636-1757
2-{3-[(2H-1,3-BENZODIOXOL-5-YL)METHYL]-1-(4-FLUOROPHENYL)-2,5-DIOXOIMIDAZOLIDIN-4-YL}-N-(4-FLUOROPHENYL)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

C636-1757

Molecular Formula

C25H19F2N3O5 (C25 H19 F2 N3 O5)

Compound Name

2-{3-[(2H-1,3-BENZODIOXOL-5-YL)METHYL]-1-(4-FLUOROPHENYL)-2,5-DIOXOIMIDAZOLIDIN-4-YL}-N-(4-FLUOROPHENYL)ACETAMIDE

IUPAC name

n/a

SMILES

O=C(CC(C(N1c(cc2)ccc2F)=O)N(Cc(cc2)cc3c2OCO3)C1=O)Nc(cc1)ccc1F

InChI

InChI=1S/C25H19F2N3O5/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-/m1/s1

InChI Key

GLKARHJTUBAFNS-HXUWFJFHSA-N

MDL Number (MFCD)

MFCD06165111

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

479.44

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

3.248

Distribution Coefficient, logD

3.248

Water Solubility, LogSw

-3.40

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

C636-1757 in Drug Discovery

Included in Screening Libraries

Human Proteases Annotated Library (2868 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C636-1757 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C636-1757?
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What is the minimum amount of C636-1757 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C636-1757
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C636-1757
  • 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 C636-1757 available by request