SC45-0408 Screening compound: N~1~-[(5,7-dimethyl-6-oxo-4,5,6,7-tetrahydro[1,2,3]triazolo[1,5-a]pyrazin-3-yl)methyl]-3-(3,5-dimethyl-1H-pyrazol-1-yl)propanamide

SC45-0408 Screening compound: N~1~-[(5,7-dimethyl-6-oxo-4,5,6,7-tetrahydro[1,2,3]triazolo[1,5-a]pyrazin-3-yl)methyl]-3-(3,5-dimethyl-1H-pyrazol-1-yl)propanamide
SC45-0408 Screening compound: N~1~-[(5,7-dimethyl-6-oxo-4,5,6,7-tetrahydro[1,2,3]triazolo[1,5-a]pyrazin-3-yl)methyl]-3-(3,5-dimethyl-1H-pyrazol-1-yl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SC45-0408
N~1~-[(5,7-dimethyl-6-oxo-4,5,6,7-tetrahydro[1,2,3]triazolo[1,5-a]pyrazin-3-yl)methyl]-3-(3,5-dimethyl-1H-pyrazol-1-yl)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

SC45-0408

Molecular Formula

C16H23N7O2 (C16 H23 N7 O2)

Compound Name

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

IUPAC name

3-(35-dimethyl-1H-pyrazol-1-yl)-N-({57-dimethyl-6-oxo-4H5H6H7H-[123]triazolo[15-a]pyrazin-3-yl}methyl)propanamide

SMILES

CC1n2nnc(CNC(CCn3nc(C)cc3C)=O)c2CN(C)C1=O

InChI

InChI=1S/C16H23N7O2/c1-10-7-11(2)22(19-10)6-5-15(24)17-8-13-14-9-21(4)16(25)12(3)23(14)20-18-13/h7,12H,5-6,8-9H2,1-4H3,(H,17,24)/t12-/m0/s1

InChI Key

JGWVTTIVGPKYKM-LBPRGKRZSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

345.4

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

-1.233

Distribution Coefficient, logD

-1.233

Water Solubility, LogSw

-1.24

Polar Surface Area

81.115

Acid Dissociation Constant (pKa)

14.14

Base Dissociation Constant (pKb)

3.40

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

56.25

SC45-0408 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with SC45-0408 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SC45-0408?
Check Price and Availability of SC45-0408, 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 SC45-0408 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SC45-0408
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SC45-0408
  • 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 SC45-0408 available by request