C305-1081 Screening compound: 2-{3-[(2-chloro-4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl}-N-cyclooctylacetamide

C305-1081 Screening compound: 2-{3-[(2-chloro-4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl}-N-cyclooctylacetamide
C305-1081 Screening compound: 2-{3-[(2-chloro-4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl}-N-cyclooctylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C305-1081
2-{3-[(2-chloro-4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl}-N-cyclooctylacetamide

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

C305-1081

Molecular Formula

C20H27ClFN3O2 (C20 H27 ClFN3 O2)

Compound Name

2-{3-[(2-chloro-4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl}-N-cyclooctylacetamide

IUPAC name

2-{3-[(2-chloro-4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl}-N-cyclooctylacetamide

SMILES

O=C(CN(CCN1Cc(ccc(F)c2)c2Cl)C1=O)NC1CCCCCCC1

InChI

InChI=1S/C20H27ClFN3O2/c21-18-12-16(22)9-8-15(18)13-24-10-11-25(20(24)27)14-19(26)23-17-6-4-2-1-3-5-7-17/h8-9,12,17H,1-7,10-11,13-14H2,(H,23,26)

InChI Key

QHTHCYFOYOOIEQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14746764

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

395.9

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.366

Distribution Coefficient, logD

4.366

Water Solubility, LogSw

-4.42

Polar Surface Area

45.137

Acid Dissociation Constant (pKa)

15.09

Base Dissociation Constant (pKb)

2.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

60.00

C305-1081 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with C305-1081 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C305-1081?
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What is the minimum amount of C305-1081 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C305-1081
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C305-1081
  • 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 C305-1081 available by request