SD69-0590 Screening compound: (6S)-6-isopropyl-4-oxo-N~3~-(3-thienylmethyl)-4,5,6,7-tetrahydro[1,2,3]triazolo[1,5-a]pyrazine-3-carboxamide

SD69-0590 Screening compound: (6S)-6-isopropyl-4-oxo-N~3~-(3-thienylmethyl)-4,5,6,7-tetrahydro[1,2,3]triazolo[1,5-a]pyrazine-3-carboxamide
SD69-0590 Screening compound: (6S)-6-isopropyl-4-oxo-N~3~-(3-thienylmethyl)-4,5,6,7-tetrahydro[1,2,3]triazolo[1,5-a]pyrazine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SD69-0590
(6S)-6-isopropyl-4-oxo-N~3~-(3-thienylmethyl)-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

SD69-0590

Molecular Formula

C14H17N5O2S (C14 H17 N5 O2 S)

Compound Name

(6S)-6-isopropyl-4-oxo-N~3~-(3-thienylmethyl)-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(NCc2cscc2)=O)c11)NC1=O

InChI

InChI=1S/C14H17N5O2S/c1-8(2)10-6-19-12(14(21)16-10)11(17-18-19)13(20)15-5-9-3-4-22-7-9/h3-4,7-8,10H,5-6H2,1-2H3,(H,15,20)(H,16,21)/t10-/m0/s1

InChI Key

YCIJOOQWCLNFDE-JTQLQIEISA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

319.39

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.798

Distribution Coefficient, logD

0.798

Water Solubility, LogSw

-2.13

Polar Surface Area

77.278

Acid Dissociation Constant (pKa)

12.81

Base Dissociation Constant (pKb)

-3.44

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.86

References: we are preparing a list of scientific research reports with SD69-0590 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SD69-0590?
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What is the minimum amount of SD69-0590 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SD69-0590
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SD69-0590
  • 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 SD69-0590 available by request