C064-0158 Screening compound: 4-fluoro-N-{2-[3-({[(5-methyl-1,2-oxazol-3-yl)carbamoyl]methyl}sulfanyl)-1H-indol-1-yl]ethyl}benzamide

C064-0158 Screening compound: 4-fluoro-N-{2-[3-({[(5-methyl-1,2-oxazol-3-yl)carbamoyl]methyl}sulfanyl)-1H-indol-1-yl]ethyl}benzamide
C064-0158 Screening compound: 4-fluoro-N-{2-[3-({[(5-methyl-1,2-oxazol-3-yl)carbamoyl]methyl}sulfanyl)-1H-indol-1-yl]ethyl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C064-0158
4-fluoro-N-{2-[3-({[(5-methyl-1,2-oxazol-3-yl)carbamoyl]methyl}sulfanyl)-1H-indol-1-yl]ethyl}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

C064-0158

Molecular Formula

C23H21FN4O3S (C23 H21 FN4 O3 S)

Compound Name

4-fluoro-N-{2-[3-({[(5-methyl-1,2-oxazol-3-yl)carbamoyl]methyl}sulfanyl)-1H-indol-1-yl]ethyl}benzamide

IUPAC name

4-fluoro-N-{2-[3-({[(5-methyl-12-oxazol-3-yl)carbamoyl]methyl}sulfanyl)-1H-indol-1-yl]ethyl}benzamide

SMILES

Cc1cc(NC(CSc2cn(CCNC(c(cc3)ccc3F)=O)c3c2cccc3)=O)no1

InChI

InChI=1S/C23H21FN4O3S/c1-15-12-21(27-31-15)26-22(29)14-32-20-13-28(19-5-3-2-4-18(19)20)11-10-25-23(30)16-6-8-17(24)9-7-16/h2-9,12-13H,10-11,14H2,1H3,(H,25,30)(H,26,27,29)

InChI Key

LCWXTWRTCXJUJT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04454171

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

452.51

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.494

Distribution Coefficient, logD

3.469

Water Solubility, LogSw

-3.74

Polar Surface Area

71.149

Acid Dissociation Constant (pKa)

8.62

Base Dissociation Constant (pKb)

-2.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.40

C064-0158 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

CNS targets activity set (6557 compounds)

Human Ion Channels Annotated Library (353 compounds)

Lipid Metabolism Library (9174 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Metabolic

References: we are preparing a list of scientific research reports with C064-0158 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C064-0158?
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What is the minimum amount of C064-0158 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C064-0158
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C064-0158
  • 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 C064-0158 available by request