SD69-0489 Screening compound: (6S)-6-isobutyl-N~3~-methyl-N~3~-[(3-methyl-1-propyl-1H-pyrazol-5-yl)methyl]-4-oxo-4,5,6,7-tetrahydro[1,2,3]triazolo[1,5-a]pyrazine-3-carboxamide

SD69-0489 Screening compound: (6S)-6-isobutyl-N~3~-methyl-N~3~-[(3-methyl-1-propyl-1H-pyrazol-5-yl)methyl]-4-oxo-4,5,6,7-tetrahydro[1,2,3]triazolo[1,5-a]pyrazine-3-carboxamide
SD69-0489 Screening compound: (6S)-6-isobutyl-N~3~-methyl-N~3~-[(3-methyl-1-propyl-1H-pyrazol-5-yl)methyl]-4-oxo-4,5,6,7-tetrahydro[1,2,3]triazolo[1,5-a]pyrazine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SD69-0489
(6S)-6-isobutyl-N~3~-methyl-N~3~-[(3-methyl-1-propyl-1H-pyrazol-5-yl)methyl]-4-oxo-4,5,6,7-tetrahydro[1,2,3]triazolo[1,5-a]pyrazine-3-carboxamide

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

SD69-0489

Molecular Formula

C19H29N7O2 (C19 H29 N7 O2)

Compound Name

(6S)-6-isobutyl-N~3~-methyl-N~3~-[(3-methyl-1-propyl-1H-pyrazol-5-yl)methyl]-4-oxo-4,5,6,7-tetrahydro[1,2,3]triazolo[1,5-a]pyrazine-3-carboxamide

IUPAC name

n/a

SMILES

CCCn1nc(C)cc1CN(C)C(c1c(C(N[C@@H](CC(C)C)C2)=O)n2nn1)=O

InChI

InChI=1S/C19H29N7O2/c1-6-7-25-15(9-13(4)22-25)11-24(5)19(28)16-17-18(27)20-14(8-12(2)3)10-26(17)23-21-16/h9,12,14H,6-8,10-11H2,1-5H3,(H,20,27)/t14-/m0/s1

InChI Key

IGYRISIXMDFQNI-AWEZNQCLSA-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

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.766

Distribution Coefficient, logD

0.766

Water Solubility, LogSw

-1.55

Polar Surface Area

81.599

Acid Dissociation Constant (pKa)

13.23

Base Dissociation Constant (pKb)

0.75

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

63.16

SD69-0489 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 SD69-0489 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SD69-0489?
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What is the minimum amount of SD69-0489 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SD69-0489
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SD69-0489
  • 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 SD69-0489 available by request