SC45-0989 Screening compound: N~1~-[(5-benzyl-7-methyl-6-oxo-4,5,6,7-tetrahydro[1,2,3]triazolo[1,5-a]pyrazin-3-yl)methyl]-2-(3,5-dimethyl-1H-pyrazol-1-yl)acetamide

SC45-0989 Screening compound: N~1~-[(5-benzyl-7-methyl-6-oxo-4,5,6,7-tetrahydro[1,2,3]triazolo[1,5-a]pyrazin-3-yl)methyl]-2-(3,5-dimethyl-1H-pyrazol-1-yl)acetamide
SC45-0989 Screening compound: N~1~-[(5-benzyl-7-methyl-6-oxo-4,5,6,7-tetrahydro[1,2,3]triazolo[1,5-a]pyrazin-3-yl)methyl]-2-(3,5-dimethyl-1H-pyrazol-1-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SC45-0989
N~1~-[(5-benzyl-7-methyl-6-oxo-4,5,6,7-tetrahydro[1,2,3]triazolo[1,5-a]pyrazin-3-yl)methyl]-2-(3,5-dimethyl-1H-pyrazol-1-yl)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

SC45-0989

Molecular Formula

C21H25N7O2 (C21 H25 N7 O2)

Compound Name

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

IUPAC name

N-({5-benzyl-7-methyl-6-oxo-4H5H6H7H-[123]triazolo[15-a]pyrazin-3-yl}methyl)-2-(35-dimethyl-1H-pyrazol-1-yl)acetamide

SMILES

CC1n2nnc(CNC(Cn3nc(C)cc3C)=O)c2CN(Cc2ccccc2)C1=O

InChI

InChI=1S/C21H25N7O2/c1-14-9-15(2)27(24-14)13-20(29)22-10-18-19-12-26(11-17-7-5-4-6-8-17)21(30)16(3)28(19)25-23-18/h4-9,16H,10-13H2,1-3H3,(H,22,29)/t16-/m0/s1

InChI Key

VQGFPOAGJBPVBG-INIZCTEOSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

407.48

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.148

Distribution Coefficient, logD

0.148

Water Solubility, LogSw

-2.00

Polar Surface Area

81.150

Acid Dissociation Constant (pKa)

14.32

Base Dissociation Constant (pKb)

1.07

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.10

References: we are preparing a list of scientific research reports with SC45-0989 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SC45-0989?
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What is the minimum amount of SC45-0989 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SC45-0989
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SC45-0989
  • 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 SC45-0989 available by request