F985-0047 Screening compound: N-benzyl-3-{2-[({[4-(propan-2-yl)phenyl]carbamoyl}methyl)sulfanyl]-1H-imidazol-1-yl}benzamide

F985-0047 Screening compound: N-benzyl-3-{2-[({[4-(propan-2-yl)phenyl]carbamoyl}methyl)sulfanyl]-1H-imidazol-1-yl}benzamide
F985-0047 Screening compound: N-benzyl-3-{2-[({[4-(propan-2-yl)phenyl]carbamoyl}methyl)sulfanyl]-1H-imidazol-1-yl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F985-0047
N-benzyl-3-{2-[({[4-(propan-2-yl)phenyl]carbamoyl}methyl)sulfanyl]-1H-imidazol-1-yl}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

F985-0047

Molecular Formula

C28H28N4O2S (C28 H28 N4 O2 S)

Compound Name

N-benzyl-3-{2-[({[4-(propan-2-yl)phenyl]carbamoyl}methyl)sulfanyl]-1H-imidazol-1-yl}benzamide

IUPAC name

N-benzyl-3-{2-[({[4-(propan-2-yl)phenyl]carbamoyl}methyl)sulfanyl]-1H-imidazol-1-yl}benzamide

SMILES

CC(C)c(cc1)ccc1NC(CSc1nccn1-c1cc(C(NCc2ccccc2)=O)ccc1)=O

InChI

InChI=1S/C28H28N4O2S/c1-20(2)22-11-13-24(14-12-22)31-26(33)19-35-28-29-15-16-32(28)25-10-6-9-23(17-25)27(34)30-18-21-7-4-3-5-8-21/h3-17,20H,18-19H2,1-2H3,(H,30,34)(H,31,33)

InChI Key

KEDFPNXIDDOQJA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD22589758

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

484.62

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

5.323

Distribution Coefficient, logD

5.323

Water Solubility, LogSw

-5.33

Polar Surface Area

60.080

Acid Dissociation Constant (pKa)

11.83

Base Dissociation Constant (pKb)

4.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.90

References: we are preparing a list of scientific research reports with F985-0047 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F985-0047?
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What is the minimum amount of F985-0047 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F985-0047
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F985-0047
  • 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 F985-0047 available by request