SC45-0913 Screening compound: N-[(5-benzyl-6-oxo-4,5,6,7-tetrahydro[1,2,3]triazolo[1,5-a]pyrazin-3-yl)methyl]-N'-cyclohexylurea

SC45-0913 Screening compound: N-[(5-benzyl-6-oxo-4,5,6,7-tetrahydro[1,2,3]triazolo[1,5-a]pyrazin-3-yl)methyl]-N'-cyclohexylurea
SC45-0913 Screening compound: N-[(5-benzyl-6-oxo-4,5,6,7-tetrahydro[1,2,3]triazolo[1,5-a]pyrazin-3-yl)methyl]-N'-cyclohexylurea alternative view

Chemical Structure Depiction of ChemDiv screening compound SC45-0913
N-[(5-benzyl-6-oxo-4,5,6,7-tetrahydro[1,2,3]triazolo[1,5-a]pyrazin-3-yl)methyl]-N'-cyclohexylurea

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

SC45-0913

Molecular Formula

C20H26N6O2 (C20 H26 N6 O2)

Compound Name

N-[(5-benzyl-6-oxo-4,5,6,7-tetrahydro[1,2,3]triazolo[1,5-a]pyrazin-3-yl)methyl]-N'-cyclohexylurea

IUPAC name

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

SMILES

O=C(NCc1c(CN(Cc2ccccc2)C(C2)=O)n2nn1)NC1CCCCC1

InChI

InChI=1S/C20H26N6O2/c27-19-14-26-18(13-25(19)12-15-7-3-1-4-8-15)17(23-24-26)11-21-20(28)22-16-9-5-2-6-10-16/h1,3-4,7-8,16H,2,5-6,9-14H2,(H2,21,22,28)

InChI Key

LHZPOELETOBJMV-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

382.47

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.215

Distribution Coefficient, logD

1.215

Water Solubility, LogSw

-1.83

Polar Surface Area

78.485

Acid Dissociation Constant (pKa)

16.08

Base Dissociation Constant (pKb)

2.50

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

SC45-0913 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with SC45-0913 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SC45-0913?
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What is the minimum amount of SC45-0913 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SC45-0913
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SC45-0913
  • 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 SC45-0913 available by request