F985-0074 Screening compound: N-benzyl-3-[2-({[(butan-2-yl)carbamoyl]methyl}sulfanyl)-1H-imidazol-1-yl]benzamide

F985-0074 Screening compound: N-benzyl-3-[2-({[(butan-2-yl)carbamoyl]methyl}sulfanyl)-1H-imidazol-1-yl]benzamide
F985-0074 Screening compound: N-benzyl-3-[2-({[(butan-2-yl)carbamoyl]methyl}sulfanyl)-1H-imidazol-1-yl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F985-0074
N-benzyl-3-[2-({[(butan-2-yl)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

F985-0074

Molecular Formula

C23H26N4O2S (C23 H26 N4 O2 S)

Compound Name

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

IUPAC name

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

SMILES

CCC(C)NC(CSc1nccn1-c1cc(C(NCc2ccccc2)=O)ccc1)=O

InChI

InChI=1S/C23H26N4O2S/c1-3-17(2)26-21(28)16-30-23-24-12-13-27(23)20-11-7-10-19(14-20)22(29)25-15-18-8-5-4-6-9-18/h4-14,17H,3,15-16H2,1-2H3,(H,25,29)(H,26,28)/t17-/m0/s1

InChI Key

QBZYFMRLKSFNOL-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD27207678

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

422.55

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

3.132

Distribution Coefficient, logD

3.123

Water Solubility, LogSw

-3.47

Polar Surface Area

61.115

Acid Dissociation Constant (pKa)

11.83

Base Dissociation Constant (pKb)

5.74

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.10

References: we are preparing a list of scientific research reports with F985-0074 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F985-0074?
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What is the minimum amount of F985-0074 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F985-0074
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F985-0074
  • 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 F985-0074 available by request