SC45-0998 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]-1-methyl-1-cyclohexanecarboxamide

SC45-0998 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]-1-methyl-1-cyclohexanecarboxamide
SC45-0998 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]-1-methyl-1-cyclohexanecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SC45-0998
N~1~-[(5-benzyl-7-methyl-6-oxo-4,5,6,7-tetrahydro[1,2,3]triazolo[1,5-a]pyrazin-3-yl)methyl]-1-methyl-1-cyclohexanecarboxamide

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

SC45-0998

Molecular Formula

C22H29N5O2 (C22 H29 N5 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]-1-methyl-1-cyclohexanecarboxamide

IUPAC name

N-({5-benzyl-7-methyl-6-oxo-4H5H6H7H-[123]triazolo[15-a]pyrazin-3-yl}methyl)-1-methylcyclohexane-1-carboxamide

SMILES

CC1n2nnc(CNC(C3(C)CCCCC3)=O)c2CN(Cc2ccccc2)C1=O

InChI

InChI=1S/C22H29N5O2/c1-16-20(28)26(14-17-9-5-3-6-10-17)15-19-18(24-25-27(16)19)13-23-21(29)22(2)11-7-4-8-12-22/h3,5-6,9-10,16H,4,7-8,11-15H2,1-2H3,(H,23,29)/t16-/m0/s1

InChI Key

QFMURMMEDSKEPE-INIZCTEOSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

395.5

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.265

Distribution Coefficient, logD

2.265

Water Solubility, LogSw

-2.68

Polar Surface Area

67.549

Acid Dissociation Constant (pKa)

13.64

Base Dissociation Constant (pKb)

0.72

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

54.54

References: we are preparing a list of scientific research reports with SC45-0998 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SC45-0998?
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What is the minimum amount of SC45-0998 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SC45-0998
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SC45-0998
  • 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 SC45-0998 available by request