F985-1449 Screening compound: 3-[2-({[(5-chloro-2-methoxyphenyl)carbamoyl]methyl}sulfanyl)-1H-imidazol-1-yl]-N-phenylbenzamide

F985-1449 Screening compound: 3-[2-({[(5-chloro-2-methoxyphenyl)carbamoyl]methyl}sulfanyl)-1H-imidazol-1-yl]-N-phenylbenzamide
F985-1449 Screening compound: 3-[2-({[(5-chloro-2-methoxyphenyl)carbamoyl]methyl}sulfanyl)-1H-imidazol-1-yl]-N-phenylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F985-1449
3-[2-({[(5-chloro-2-methoxyphenyl)carbamoyl]methyl}sulfanyl)-1H-imidazol-1-yl]-N-phenylbenzamide

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

F985-1449

Molecular Formula

C25H21ClN4O3S (C25 H21 ClN4 O3 S)

Compound Name

3-[2-({[(5-chloro-2-methoxyphenyl)carbamoyl]methyl}sulfanyl)-1H-imidazol-1-yl]-N-phenylbenzamide

IUPAC name

3-[2-({[(5-chloro-2-methoxyphenyl)carbamoyl]methyl}sulfanyl)-1H-imidazol-1-yl]-N-phenylbenzamide

SMILES

COc(ccc(Cl)c1)c1NC(CSc1nccn1-c1cc(C(Nc2ccccc2)=O)ccc1)=O

InChI

InChI=1S/C25H21ClN4O3S/c1-33-22-11-10-18(26)15-21(22)29-23(31)16-34-25-27-12-13-30(25)20-9-5-6-17(14-20)24(32)28-19-7-3-2-4-8-19/h2-15H,16H2,1H3,(H,28,32)(H,29,31)

InChI Key

ROLPIEUMLNFRKM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD22589859

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

492.99

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.380

Distribution Coefficient, logD

4.377

Water Solubility, LogSw

-4.61

Polar Surface Area

65.691

Acid Dissociation Constant (pKa)

9.59

Base Dissociation Constant (pKb)

4.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.00

F985-1449 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with F985-1449 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F985-1449?
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What is the minimum amount of F985-1449 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F985-1449
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F985-1449
  • 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 F985-1449 available by request