SC45-0098 Screening compound: 3-(3,5-dimethyl-1H-pyrazol-1-yl)-N~1~-[(6-oxo-4,5,6,7-tetrahydro[1,2,3]triazolo[1,5-a]pyrazin-3-yl)methyl]propanamide

SC45-0098 Screening compound: 3-(3,5-dimethyl-1H-pyrazol-1-yl)-N~1~-[(6-oxo-4,5,6,7-tetrahydro[1,2,3]triazolo[1,5-a]pyrazin-3-yl)methyl]propanamide
SC45-0098 Screening compound: 3-(3,5-dimethyl-1H-pyrazol-1-yl)-N~1~-[(6-oxo-4,5,6,7-tetrahydro[1,2,3]triazolo[1,5-a]pyrazin-3-yl)methyl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SC45-0098
3-(3,5-dimethyl-1H-pyrazol-1-yl)-N~1~-[(6-oxo-4,5,6,7-tetrahydro[1,2,3]triazolo[1,5-a]pyrazin-3-yl)methyl]propanamide

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

SC45-0098

Molecular Formula

C14H19N7O2 (C14 H19 N7 O2)

Compound Name

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

IUPAC name

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

SMILES

Cc1cc(C)nn1CCC(NCc1c(CNC(C2)=O)n2nn1)=O

InChI

InChI=1S/C14H19N7O2/c1-9-5-10(2)20(18-9)4-3-13(22)15-6-11-12-7-16-14(23)8-21(12)19-17-11/h5H,3-4,6-8H2,1-2H3,(H,15,22)(H,16,23)

InChI Key

SCBNNTVRBGOTPJ-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

317.35

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

-1.542

Distribution Coefficient, logD

-1.542

Water Solubility, LogSw

-1.22

Polar Surface Area

90.314

Acid Dissociation Constant (pKa)

14.14

Base Dissociation Constant (pKb)

3.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

References: we are preparing a list of scientific research reports with SC45-0098 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SC45-0098?
Check Price and Availability of SC45-0098, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of SC45-0098 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SC45-0098
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SC45-0098
  • 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 SC45-0098 available by request