F711-0578 Screening compound: N-benzyl-2-(2-{[(3-chlorophenyl)methyl]sulfanyl}-5-(hydroxymethyl)-1H-imidazol-1-yl)acetamide

F711-0578 Screening compound: N-benzyl-2-(2-{[(3-chlorophenyl)methyl]sulfanyl}-5-(hydroxymethyl)-1H-imidazol-1-yl)acetamide
F711-0578 Screening compound: N-benzyl-2-(2-{[(3-chlorophenyl)methyl]sulfanyl}-5-(hydroxymethyl)-1H-imidazol-1-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F711-0578
N-benzyl-2-(2-{[(3-chlorophenyl)methyl]sulfanyl}-5-(hydroxymethyl)-1H-imidazol-1-yl)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

F711-0578

Molecular Formula

C20H20ClN3O2S (C20 H20 ClN3 O2 S)

Compound Name

N-benzyl-2-(2-{[(3-chlorophenyl)methyl]sulfanyl}-5-(hydroxymethyl)-1H-imidazol-1-yl)acetamide

IUPAC name

N-benzyl-2-(2-{[(3-chlorophenyl)methyl]sulfanyl}-5-(hydroxymethyl)-1H-imidazol-1-yl)acetamide

SMILES

OCc(n1CC(NCc2ccccc2)=O)cnc1SCc1cccc(Cl)c1

InChI

InChI=1S/C20H20ClN3O2S/c21-17-8-4-7-16(9-17)14-27-20-23-11-18(13-25)24(20)12-19(26)22-10-15-5-2-1-3-6-15/h1-9,11,25H,10,12-14H2,(H,22,26)

InChI Key

AVWSZWRZQIFAKU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08933365

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

401.92

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.455

Distribution Coefficient, logD

3.442

Water Solubility, LogSw

-3.60

Polar Surface Area

52.830

Acid Dissociation Constant (pKa)

12.79

Base Dissociation Constant (pKb)

5.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

F711-0578 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with F711-0578 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F711-0578?
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What is the minimum amount of F711-0578 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F711-0578
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F711-0578
  • 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 F711-0578 available by request