F595-0238 Screening compound: 1-(azepan-1-yl)-2-({7-phenyl-5H,6H,7H-imidazo[2,1-c][1,2,4]triazol-3-yl}sulfanyl)ethan-1-one

F595-0238 Screening compound: 1-(azepan-1-yl)-2-({7-phenyl-5H,6H,7H-imidazo[2,1-c][1,2,4]triazol-3-yl}sulfanyl)ethan-1-one
F595-0238 Screening compound: 1-(azepan-1-yl)-2-({7-phenyl-5H,6H,7H-imidazo[2,1-c][1,2,4]triazol-3-yl}sulfanyl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound F595-0238
1-(azepan-1-yl)-2-({7-phenyl-5H,6H,7H-imidazo[2,1-c][1,2,4]triazol-3-yl}sulfanyl)ethan-1-one

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

F595-0238

Molecular Formula

C18H23N5OS (C18 H23 N5 OS)

Compound Name

1-(azepan-1-yl)-2-({7-phenyl-5H,6H,7H-imidazo[2,1-c][1,2,4]triazol-3-yl}sulfanyl)ethan-1-one

IUPAC name

1-(azepan-1-yl)-2-({7-phenyl-5H6H7H-imidazo[21-c][124]triazol-3-yl}sulfanyl)ethan-1-one

SMILES

O=C(CSc(n1CC2)nnc1N2c1ccccc1)N1CCCCCC1

InChI

InChI=1S/C18H23N5OS/c24-16(21-10-6-1-2-7-11-21)14-25-18-20-19-17-22(12-13-23(17)18)15-8-4-3-5-9-15/h3-5,8-9H,1-2,6-7,10-14H2

InChI Key

SVNPWBPAHHTSSJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08537732

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

357.48

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.975

Distribution Coefficient, logD

2.943

Water Solubility, LogSw

-3.12

Polar Surface Area

43.446

Acid Dissociation Constant (pKa)

20.22

Base Dissociation Constant (pKb)

6.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

F595-0238 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with F595-0238 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F595-0238?
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What is the minimum amount of F595-0238 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F595-0238
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F595-0238
  • 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 F595-0238 available by request