SD69-0366 Screening compound: (6S)-N~3~-[2-(1-azepanyl)-2-oxoethyl]-N~3~-methyl-4-oxo-6-phenyl-4,5,6,7-tetrahydro[1,2,3]triazolo[1,5-a]pyrazine-3-carboxamide

SD69-0366 Screening compound: (6S)-N~3~-[2-(1-azepanyl)-2-oxoethyl]-N~3~-methyl-4-oxo-6-phenyl-4,5,6,7-tetrahydro[1,2,3]triazolo[1,5-a]pyrazine-3-carboxamide
SD69-0366 Screening compound: (6S)-N~3~-[2-(1-azepanyl)-2-oxoethyl]-N~3~-methyl-4-oxo-6-phenyl-4,5,6,7-tetrahydro[1,2,3]triazolo[1,5-a]pyrazine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SD69-0366
(6S)-N~3~-[2-(1-azepanyl)-2-oxoethyl]-N~3~-methyl-4-oxo-6-phenyl-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

SD69-0366

Molecular Formula

C21H26N6O3 (C21 H26 N6 O3)

Compound Name

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

IUPAC name

n/a

SMILES

CN(CC(N1CCCCCC1)=O)C(c1c(C(N[C@H](C2)c3ccccc3)=O)n2nn1)=O

InChI

InChI=1S/C21H26N6O3/c1-25(14-17(28)26-11-7-2-3-8-12-26)21(30)18-19-20(29)22-16(13-27(19)24-23-18)15-9-5-4-6-10-15/h4-6,9-10,16H,2-3,7-8,11-14H2,1H3,(H,22,29)/t16-/m1/s1

InChI Key

JYMFWCOAAWWRAX-MRXNPFEDSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

410.48

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.630

Distribution Coefficient, logD

0.630

Water Solubility, LogSw

-1.73

Polar Surface Area

84.449

Acid Dissociation Constant (pKa)

11.80

Base Dissociation Constant (pKb)

4.71

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

47.62

SD69-0366 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 SD69-0366 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SD69-0366?
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What is the minimum amount of SD69-0366 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SD69-0366
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SD69-0366
  • 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 SD69-0366 available by request