SC27-2318 Screening compound: 2-(2-chloro-6-fluorobenzyl)-N~8~-[3-(isopropylsulfanyl)propyl]-3-oxo-2,3,5,6,7,8-hexahydro[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide

SC27-2318 Screening compound: 2-(2-chloro-6-fluorobenzyl)-N~8~-[3-(isopropylsulfanyl)propyl]-3-oxo-2,3,5,6,7,8-hexahydro[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
SC27-2318 Screening compound: 2-(2-chloro-6-fluorobenzyl)-N~8~-[3-(isopropylsulfanyl)propyl]-3-oxo-2,3,5,6,7,8-hexahydro[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SC27-2318
2-(2-chloro-6-fluorobenzyl)-N~8~-[3-(isopropylsulfanyl)propyl]-3-oxo-2,3,5,6,7,8-hexahydro[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide

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

SC27-2318

Molecular Formula

C20H26ClFN4O2S (C20 H26 ClFN4 O2 S)

Compound Name

2-(2-chloro-6-fluorobenzyl)-N~8~-[3-(isopropylsulfanyl)propyl]-3-oxo-2,3,5,6,7,8-hexahydro[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide

IUPAC name

2-[(2-chloro-6-fluorophenyl)methyl]-3-oxo-N-[3-(propan-2-ylsulfanyl)propyl]-2H3H5H6H7H8H-[124]triazolo[43-a]pyridine-8-carboxamide

SMILES

CC(C)SCCCNC(C(CCCN12)C2=NN(Cc(c(F)ccc2)c2Cl)C1=O)=O

InChI

InChI=1S/C20H26ClFN4O2S/c1-13(2)29-11-5-9-23-19(27)14-6-4-10-25-18(14)24-26(20(25)28)12-15-16(21)7-3-8-17(15)22/h3,7-8,13-14H,4-6,9-12H2,1-2H3,(H,23,27)/t14-/m1/s1

InChI Key

BGAXWRHYWOYLPS-CQSZACIVSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

440.97

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.413

Distribution Coefficient, logD

3.413

Water Solubility, LogSw

-3.80

Polar Surface Area

56.732

Acid Dissociation Constant (pKa)

13.07

Base Dissociation Constant (pKb)

0.86

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

55.00

References: we are preparing a list of scientific research reports with SC27-2318 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SC27-2318?
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What is the minimum amount of SC27-2318 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SC27-2318
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SC27-2318
  • 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 SC27-2318 available by request