SD69-0381 Screening compound: (6S)-4-oxo-6-phenyl-N~3~-[2-(4-phenylpiperazino)ethyl]-4,5,6,7-tetrahydro[1,2,3]triazolo[1,5-a]pyrazine-3-carboxamide

SD69-0381 Screening compound: (6S)-4-oxo-6-phenyl-N~3~-[2-(4-phenylpiperazino)ethyl]-4,5,6,7-tetrahydro[1,2,3]triazolo[1,5-a]pyrazine-3-carboxamide
SD69-0381 Screening compound: (6S)-4-oxo-6-phenyl-N~3~-[2-(4-phenylpiperazino)ethyl]-4,5,6,7-tetrahydro[1,2,3]triazolo[1,5-a]pyrazine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SD69-0381
(6S)-4-oxo-6-phenyl-N~3~-[2-(4-phenylpiperazino)ethyl]-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

SD69-0381

Molecular Formula

C24H27N7O2 (C24 H27 N7 O2)

Compound Name

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

IUPAC name

n/a

SMILES

O=C(c1c(C(N[C@H](C2)c3ccccc3)=O)n2nn1)NCCN(CC1)CCN1c1ccccc1

InChI

InChI=1S/C24H27N7O2/c32-23(25-11-12-29-13-15-30(16-14-29)19-9-5-2-6-10-19)21-22-24(33)26-20(17-31(22)28-27-21)18-7-3-1-4-8-18/h1-10,20H,11-17H2,(H,25,32)(H,26,33)/t20-/m1/s1

InChI Key

WVUHYVNXZUJWTQ-HXUWFJFHSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

445.52

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.287

Distribution Coefficient, logD

1.236

Water Solubility, LogSw

-1.78

Polar Surface Area

83.073

Acid Dissociation Constant (pKa)

11.08

Base Dissociation Constant (pKb)

6.49

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.33

SD69-0381 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 SD69-0381 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SD69-0381?
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What is the minimum amount of SD69-0381 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SD69-0381
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SD69-0381
  • 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 SD69-0381 available by request