SC45-0895 Screening compound: N~1~-[(5-benzyl-6-oxo-4,5,6,7-tetrahydro[1,2,3]triazolo[1,5-a]pyrazin-3-yl)methyl]-3,4-dimethoxy-1-benzenesulfonamide

SC45-0895 Screening compound: N~1~-[(5-benzyl-6-oxo-4,5,6,7-tetrahydro[1,2,3]triazolo[1,5-a]pyrazin-3-yl)methyl]-3,4-dimethoxy-1-benzenesulfonamide
SC45-0895 Screening compound: N~1~-[(5-benzyl-6-oxo-4,5,6,7-tetrahydro[1,2,3]triazolo[1,5-a]pyrazin-3-yl)methyl]-3,4-dimethoxy-1-benzenesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SC45-0895
N~1~-[(5-benzyl-6-oxo-4,5,6,7-tetrahydro[1,2,3]triazolo[1,5-a]pyrazin-3-yl)methyl]-3,4-dimethoxy-1-benzenesulfonamide

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

SC45-0895

Molecular Formula

C21H23N5O5S (C21 H23 N5 O5 S)

Compound Name

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

IUPAC name

N-({5-benzyl-6-oxo-4H5H6H7H-[123]triazolo[15-a]pyrazin-3-yl}methyl)-34-dimethoxybenzene-1-sulfonamide

SMILES

COc(ccc(S(NCc1c(CN(Cc2ccccc2)C(C2)=O)n2nn1)(=O)=O)c1)c1OC

InChI

InChI=1S/C21H23N5O5S/c1-30-19-9-8-16(10-20(19)31-2)32(28,29)22-11-17-18-13-25(12-15-6-4-3-5-7-15)21(27)14-26(18)24-23-17/h3-10,22H,11-14H2,1-2H3

InChI Key

OTQJGIPXYBIWIA-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

457.51

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

0.730

Distribution Coefficient, logD

0.719

Water Solubility, LogSw

-2.50

Polar Surface Area

100.831

Acid Dissociation Constant (pKa)

9.00

Base Dissociation Constant (pKb)

0.45

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.57

References: we are preparing a list of scientific research reports with SC45-0895 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SC45-0895?
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What is the minimum amount of SC45-0895 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SC45-0895
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SC45-0895
  • 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 SC45-0895 available by request