SD69-0431 Screening compound: (6S)-N~3~-[2-(1H-indol-3-yl)ethyl]-6-isobutyl-4-oxo-4,5,6,7-tetrahydro[1,2,3]triazolo[1,5-a]pyrazine-3-carboxamide

SD69-0431 Screening compound: (6S)-N~3~-[2-(1H-indol-3-yl)ethyl]-6-isobutyl-4-oxo-4,5,6,7-tetrahydro[1,2,3]triazolo[1,5-a]pyrazine-3-carboxamide
SD69-0431 Screening compound: (6S)-N~3~-[2-(1H-indol-3-yl)ethyl]-6-isobutyl-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 SD69-0431
(6S)-N~3~-[2-(1H-indol-3-yl)ethyl]-6-isobutyl-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

SD69-0431

Molecular Formula

C20H24N6O2 (C20 H24 N6 O2)

Compound Name

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

IUPAC name

n/a

SMILES

CC(C)C[C@@H](Cn1nnc(C(NCCc2c[nH]c3c2cccc3)=O)c11)NC1=O

InChI

InChI=1S/C20H24N6O2/c1-12(2)9-14-11-26-18(20(28)23-14)17(24-25-26)19(27)21-8-7-13-10-22-16-6-4-3-5-15(13)16/h3-6,10,12,14,22H,7-9,11H2,1-2H3,(H,21,27)(H,23,28)/t14-/m0/s1

InChI Key

ZEDVRZIKBXSQSN-AWEZNQCLSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

380.45

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.725

Distribution Coefficient, logD

1.725

Water Solubility, LogSw

-2.20

Polar Surface Area

86.078

Acid Dissociation Constant (pKa)

12.51

Base Dissociation Constant (pKb)

-3.02

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.00

References: we are preparing a list of scientific research reports with SD69-0431 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SD69-0431?
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What is the minimum amount of SD69-0431 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SD69-0431
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SD69-0431
  • 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 SD69-0431 available by request