F985-0870 Screening compound: 3-(2-{[(butylcarbamoyl)methyl]sulfanyl}-1H-imidazol-1-yl)-N-[(5-methylfuran-2-yl)methyl]benzamide

F985-0870 Screening compound: 3-(2-{[(butylcarbamoyl)methyl]sulfanyl}-1H-imidazol-1-yl)-N-[(5-methylfuran-2-yl)methyl]benzamide
F985-0870 Screening compound: 3-(2-{[(butylcarbamoyl)methyl]sulfanyl}-1H-imidazol-1-yl)-N-[(5-methylfuran-2-yl)methyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F985-0870
3-(2-{[(butylcarbamoyl)methyl]sulfanyl}-1H-imidazol-1-yl)-N-[(5-methylfuran-2-yl)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

F985-0870

Molecular Formula

C22H26N4O3S (C22 H26 N4 O3 S)

Compound Name

3-(2-{[(butylcarbamoyl)methyl]sulfanyl}-1H-imidazol-1-yl)-N-[(5-methylfuran-2-yl)methyl]benzamide

IUPAC name

3-(2-{[(butylcarbamoyl)methyl]sulfanyl}-1H-imidazol-1-yl)-N-[(5-methylfuran-2-yl)methyl]benzamide

SMILES

CCCCNC(CSc1nccn1-c1cc(C(NCc2ccc(C)o2)=O)ccc1)=O

InChI

InChI=1S/C22H26N4O3S/c1-3-4-10-23-20(27)15-30-22-24-11-12-26(22)18-7-5-6-17(13-18)21(28)25-14-19-9-8-16(2)29-19/h5-9,11-13H,3-4,10,14-15H2,1-2H3,(H,23,27)(H,25,28)

InChI Key

YJDFFYORPNRQHT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27207728

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

426.54

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.378

Distribution Coefficient, logD

3.368

Water Solubility, LogSw

-3.60

Polar Surface Area

68.778

Acid Dissociation Constant (pKa)

11.65

Base Dissociation Constant (pKb)

5.74

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.80

References: we are preparing a list of scientific research reports with F985-0870 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F985-0870?
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What is the minimum amount of F985-0870 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F985-0870
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F985-0870
  • 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 F985-0870 available by request