SC45-0208 Screening compound: 2-(3-chlorophenyl)-N~1~-[(6-oxo-4,5,6,7-tetrahydro[1,2,3]triazolo[1,5-a]pyrazin-3-yl)methyl]acetamide

SC45-0208 Screening compound: 2-(3-chlorophenyl)-N~1~-[(6-oxo-4,5,6,7-tetrahydro[1,2,3]triazolo[1,5-a]pyrazin-3-yl)methyl]acetamide
SC45-0208 Screening compound: 2-(3-chlorophenyl)-N~1~-[(6-oxo-4,5,6,7-tetrahydro[1,2,3]triazolo[1,5-a]pyrazin-3-yl)methyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SC45-0208
2-(3-chlorophenyl)-N~1~-[(6-oxo-4,5,6,7-tetrahydro[1,2,3]triazolo[1,5-a]pyrazin-3-yl)methyl]acetamide

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

SC45-0208

Molecular Formula

C14H14ClN5O2 (C14 H14 ClN5 O2)

Compound Name

2-(3-chlorophenyl)-N~1~-[(6-oxo-4,5,6,7-tetrahydro[1,2,3]triazolo[1,5-a]pyrazin-3-yl)methyl]acetamide

IUPAC name

2-(3-chlorophenyl)-N-({6-oxo-4H5H6H7H-[123]triazolo[15-a]pyrazin-3-yl}methyl)acetamide

SMILES

O=C(Cc1cccc(Cl)c1)NCc1c(CNC(C2)=O)n2nn1

InChI

InChI=1S/C14H14ClN5O2/c15-10-3-1-2-9(4-10)5-13(21)16-6-11-12-7-17-14(22)8-20(12)19-18-11/h1-4H,5-8H2,(H,16,21)(H,17,22)

InChI Key

ANSQQRLDQQUNNH-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

319.75

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.480

Distribution Coefficient, logD

0.480

Water Solubility, LogSw

-2.33

Polar Surface Area

76.329

Acid Dissociation Constant (pKa)

13.92

Base Dissociation Constant (pKb)

-0.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.57

References: we are preparing a list of scientific research reports with SC45-0208 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SC45-0208?
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What is the minimum amount of SC45-0208 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SC45-0208
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SC45-0208
  • 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 SC45-0208 available by request