SD70-0246 Screening compound: N~1~-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl]-2-[(7S)-7-isobutyl-6-oxo-6,7-dihydro[1,2,3]triazolo[1,5-a]pyrazin-5(4H)-yl]-N~1~-methylacetamide

SD70-0246 Screening compound: N~1~-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl]-2-[(7S)-7-isobutyl-6-oxo-6,7-dihydro[1,2,3]triazolo[1,5-a]pyrazin-5(4H)-yl]-N~1~-methylacetamide
SD70-0246 Screening compound: N~1~-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl]-2-[(7S)-7-isobutyl-6-oxo-6,7-dihydro[1,2,3]triazolo[1,5-a]pyrazin-5(4H)-yl]-N~1~-methylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SD70-0246
N~1~-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl]-2-[(7S)-7-isobutyl-6-oxo-6,7-dihydro[1,2,3]triazolo[1,5-a]pyrazin-5(4H)-yl]-N~1~-methylacetamide

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

SD70-0246

Molecular Formula

C19H29N7O2 (C19 H29 N7 O2)

Compound Name

N~1~-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl]-2-[(7S)-7-isobutyl-6-oxo-6,7-dihydro[1,2,3]triazolo[1,5-a]pyrazin-5(4H)-yl]-N~1~-methylacetamide

IUPAC name

n/a

SMILES

CCn1nc(C)c(CN(C)C(CN(Cc2cnnn2[C@H]2CC(C)C)C2=O)=O)c1

InChI

InChI=1S/C19H29N7O2/c1-6-25-10-15(14(4)21-25)9-23(5)18(27)12-24-11-16-8-20-22-26(16)17(19(24)28)7-13(2)3/h8,10,13,17H,6-7,9,11-12H2,1-5H3/t17-/m0/s1

InChI Key

JDZDOXGHFYUROI-KRWDZBQOSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

387.49

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.448

Distribution Coefficient, logD

0.448

Water Solubility, LogSw

-0.43

Polar Surface Area

73.942

Acid Dissociation Constant (pKa)

16.87

Base Dissociation Constant (pKb)

8.34

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

63.16

SD70-0246 in Drug Discovery

Included in Screening Libraries

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 SD70-0246 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SD70-0246?
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What is the minimum amount of SD70-0246 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SD70-0246
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SD70-0246
  • 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 SD70-0246 available by request