SD69-0589 Screening compound: (6S)-6-isopropyl-N~3~-methyl-4-oxo-N~3~-(3-pyridylmethyl)-4,5,6,7-tetrahydro[1,2,3]triazolo[1,5-a]pyrazine-3-carboxamide

SD69-0589 Screening compound: (6S)-6-isopropyl-N~3~-methyl-4-oxo-N~3~-(3-pyridylmethyl)-4,5,6,7-tetrahydro[1,2,3]triazolo[1,5-a]pyrazine-3-carboxamide
SD69-0589 Screening compound: (6S)-6-isopropyl-N~3~-methyl-4-oxo-N~3~-(3-pyridylmethyl)-4,5,6,7-tetrahydro[1,2,3]triazolo[1,5-a]pyrazine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SD69-0589
(6S)-6-isopropyl-N~3~-methyl-4-oxo-N~3~-(3-pyridylmethyl)-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

SD69-0589

Molecular Formula

C16H20N6O2 (C16 H20 N6 O2)

Compound Name

(6S)-6-isopropyl-N~3~-methyl-4-oxo-N~3~-(3-pyridylmethyl)-4,5,6,7-tetrahydro[1,2,3]triazolo[1,5-a]pyrazine-3-carboxamide

IUPAC name

n/a

SMILES

CC(C)[C@@H](Cn1nnc(C(N(C)Cc2cnccc2)=O)c11)NC1=O

InChI

InChI=1S/C16H20N6O2/c1-10(2)12-9-22-14(15(23)18-12)13(19-20-22)16(24)21(3)8-11-5-4-6-17-7-11/h4-7,10,12H,8-9H2,1-3H3,(H,18,23)/t12-/m1/s1

InChI Key

OPPROGJJKWRWSI-GFCCVEGCSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

328.37

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

-0.045

Distribution Coefficient, logD

-0.045

Water Solubility, LogSw

-0.92

Polar Surface Area

77.515

Acid Dissociation Constant (pKa)

14.95

Base Dissociation Constant (pKb)

3.04

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

43.75

SD69-0589 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 SD69-0589 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SD69-0589?
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What is the minimum amount of SD69-0589 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SD69-0589
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SD69-0589
  • 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 SD69-0589 available by request