F985-1018 Screening compound: 3-[2-({[(3-bromophenyl)carbamoyl]methyl}sulfanyl)-1H-imidazol-1-yl]-N-butylbenzamide

F985-1018 Screening compound: 3-[2-({[(3-bromophenyl)carbamoyl]methyl}sulfanyl)-1H-imidazol-1-yl]-N-butylbenzamide
F985-1018 Screening compound: 3-[2-({[(3-bromophenyl)carbamoyl]methyl}sulfanyl)-1H-imidazol-1-yl]-N-butylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F985-1018
3-[2-({[(3-bromophenyl)carbamoyl]methyl}sulfanyl)-1H-imidazol-1-yl]-N-butylbenzamide

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

F985-1018

Molecular Formula

C22H23BrN4O2S (C22 H23 BrN4 O2 S)

Compound Name

3-[2-({[(3-bromophenyl)carbamoyl]methyl}sulfanyl)-1H-imidazol-1-yl]-N-butylbenzamide

IUPAC name

3-[2-({[(3-bromophenyl)carbamoyl]methyl}sulfanyl)-1H-imidazol-1-yl]-N-butylbenzamide

SMILES

CCCCNC(c1cccc(-n2c(SCC(Nc3cccc(Br)c3)=O)ncc2)c1)=O

InChI

InChI=1S/C22H23BrN4O2S/c1-2-3-10-24-21(29)16-6-4-9-19(13-16)27-12-11-25-22(27)30-15-20(28)26-18-8-5-7-17(23)14-18/h4-9,11-14H,2-3,10,15H2,1H3,(H,24,29)(H,26,28)

InChI Key

MTDVQSJFWQDYPC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD22589835

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

487.42

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.606

Distribution Coefficient, logD

4.605

Water Solubility, LogSw

-4.34

Polar Surface Area

60.193

Acid Dissociation Constant (pKa)

11.04

Base Dissociation Constant (pKb)

4.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

References: we are preparing a list of scientific research reports with F985-1018 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F985-1018?
Check Price and Availability of F985-1018, 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 F985-1018 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F985-1018
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F985-1018
  • 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 F985-1018 available by request