SD70-0259 Screening compound: 2-[(7S)-7-isobutyl-6-oxo-6,7-dihydro[1,2,3]triazolo[1,5-a]pyrazin-5(4H)-yl]-N~1~-(4-morpholinobenzyl)acetamide

SD70-0259 Screening compound: 2-[(7S)-7-isobutyl-6-oxo-6,7-dihydro[1,2,3]triazolo[1,5-a]pyrazin-5(4H)-yl]-N~1~-(4-morpholinobenzyl)acetamide
SD70-0259 Screening compound: 2-[(7S)-7-isobutyl-6-oxo-6,7-dihydro[1,2,3]triazolo[1,5-a]pyrazin-5(4H)-yl]-N~1~-(4-morpholinobenzyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SD70-0259
2-[(7S)-7-isobutyl-6-oxo-6,7-dihydro[1,2,3]triazolo[1,5-a]pyrazin-5(4H)-yl]-N~1~-(4-morpholinobenzyl)acetamide

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

SD70-0259

Molecular Formula

C22H30N6O3 (C22 H30 N6 O3)

Compound Name

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

IUPAC name

n/a

SMILES

CC(C)C[C@@H]1n2nncc2CN(CC(NCc(cc2)ccc2N2CCOCC2)=O)C1=O

InChI

InChI=1S/C22H30N6O3/c1-16(2)11-20-22(30)27(14-19-13-24-25-28(19)20)15-21(29)23-12-17-3-5-18(6-4-17)26-7-9-31-10-8-26/h3-6,13,16,20H,7-12,14-15H2,1-2H3,(H,23,29)/t20-/m0/s1

InChI Key

JSLHJLXFJXOZJY-FQEVSTJZSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

426.52

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.187

Distribution Coefficient, logD

1.186

Water Solubility, LogSw

-2.05

Polar Surface Area

79.025

Acid Dissociation Constant (pKa)

13.91

Base Dissociation Constant (pKb)

4.41

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

54.55

SD70-0259 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 SD70-0259 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SD70-0259?
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What is the minimum amount of SD70-0259 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SD70-0259
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SD70-0259
  • 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 SD70-0259 available by request