SC45-0336 Screening compound: N~1~-[(5,7-dimethyl-6-oxo-4,5,6,7-tetrahydro[1,2,3]triazolo[1,5-a]pyrazin-3-yl)methyl]-3-fluoro-4-methylbenzamide

SC45-0336 Screening compound: N~1~-[(5,7-dimethyl-6-oxo-4,5,6,7-tetrahydro[1,2,3]triazolo[1,5-a]pyrazin-3-yl)methyl]-3-fluoro-4-methylbenzamide
SC45-0336 Screening compound: N~1~-[(5,7-dimethyl-6-oxo-4,5,6,7-tetrahydro[1,2,3]triazolo[1,5-a]pyrazin-3-yl)methyl]-3-fluoro-4-methylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SC45-0336
N~1~-[(5,7-dimethyl-6-oxo-4,5,6,7-tetrahydro[1,2,3]triazolo[1,5-a]pyrazin-3-yl)methyl]-3-fluoro-4-methylbenzamide

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

SC45-0336

Molecular Formula

C16H18FN5O2 (C16 H18 FN5 O2)

Compound Name

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

IUPAC name

N-({57-dimethyl-6-oxo-4H5H6H7H-[123]triazolo[15-a]pyrazin-3-yl}methyl)-3-fluoro-4-methylbenzamide

SMILES

CC1n2nnc(CNC(c3cc(F)c(C)cc3)=O)c2CN(C)C1=O

InChI

InChI=1S/C16H18FN5O2/c1-9-4-5-11(6-12(9)17)15(23)18-7-13-14-8-21(3)16(24)10(2)22(14)20-19-13/h4-6,10H,7-8H2,1-3H3,(H,18,23)/t10-/m0/s1

InChI Key

ZMJYNADPZRCNPP-JTQLQIEISA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

331.35

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.872

Distribution Coefficient, logD

0.872

Water Solubility, LogSw

-2.11

Polar Surface Area

67.343

Acid Dissociation Constant (pKa)

12.03

Base Dissociation Constant (pKb)

-1.05

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

37.50

References: we are preparing a list of scientific research reports with SC45-0336 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SC45-0336?
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What is the minimum amount of SC45-0336 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SC45-0336
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SC45-0336
  • 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 SC45-0336 available by request