F984-0582 Screening compound: 4-[2-({[(2-cyanophenyl)carbamoyl]methyl}sulfanyl)-1H-imidazol-1-yl]-N-[(4-methylphenyl)methyl]benzamide

F984-0582 Screening compound: 4-[2-({[(2-cyanophenyl)carbamoyl]methyl}sulfanyl)-1H-imidazol-1-yl]-N-[(4-methylphenyl)methyl]benzamide
F984-0582 Screening compound: 4-[2-({[(2-cyanophenyl)carbamoyl]methyl}sulfanyl)-1H-imidazol-1-yl]-N-[(4-methylphenyl)methyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F984-0582
4-[2-({[(2-cyanophenyl)carbamoyl]methyl}sulfanyl)-1H-imidazol-1-yl]-N-[(4-methylphenyl)methyl]benzamide

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

F984-0582

Molecular Formula

C27H23N5O2S (C27 H23 N5 O2 S)

Compound Name

4-[2-({[(2-cyanophenyl)carbamoyl]methyl}sulfanyl)-1H-imidazol-1-yl]-N-[(4-methylphenyl)methyl]benzamide

IUPAC name

4-[2-({[(2-cyanophenyl)carbamoyl]methyl}sulfanyl)-1H-imidazol-1-yl]-N-[(4-methylphenyl)methyl]benzamide

SMILES

Cc1ccc(CNC(c(cc2)ccc2-n2c(SCC(Nc(cccc3)c3C#N)=O)ncc2)=O)cc1

InChI

InChI=1S/C27H23N5O2S/c1-19-6-8-20(9-7-19)17-30-26(34)21-10-12-23(13-11-21)32-15-14-29-27(32)35-18-25(33)31-24-5-3-2-4-22(24)16-28/h2-15H,17-18H2,1H3,(H,30,34)(H,31,33)

InChI Key

GICQHPZWOAHXOP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD16638961

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

481.58

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.742

Distribution Coefficient, logD

3.740

Water Solubility, LogSw

-3.93

Polar Surface Area

76.439

Acid Dissociation Constant (pKa)

10.18

Base Dissociation Constant (pKb)

4.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

F984-0582 in Drug Discovery

Included in Screening Libraries

Eccentric PPI Library (11937 compounds)

KRAS-Targeted Library (16000 compounds)

Protein-Protein Interaction Library (218420 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with F984-0582 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F984-0582?
Check Price and Availability of F984-0582, 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 F984-0582 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F984-0582
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F984-0582
  • 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 F984-0582 available by request