SD69-0533 Screening compound: (6S)-3-[3,4-dihydro-2(1H)-isoquinolinylcarbonyl]-6-isobutyl-6,7-dihydro[1,2,3]triazolo[1,5-a]pyrazin-4(5H)-one

SD69-0533 Screening compound: (6S)-3-[3,4-dihydro-2(1H)-isoquinolinylcarbonyl]-6-isobutyl-6,7-dihydro[1,2,3]triazolo[1,5-a]pyrazin-4(5H)-one
SD69-0533 Screening compound: (6S)-3-[3,4-dihydro-2(1H)-isoquinolinylcarbonyl]-6-isobutyl-6,7-dihydro[1,2,3]triazolo[1,5-a]pyrazin-4(5H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound SD69-0533
(6S)-3-[3,4-dihydro-2(1H)-isoquinolinylcarbonyl]-6-isobutyl-6,7-dihydro[1,2,3]triazolo[1,5-a]pyrazin-4(5H)-one

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

SD69-0533

Molecular Formula

C19H23N5O2 (C19 H23 N5 O2)

Compound Name

(6S)-3-[3,4-dihydro-2(1H)-isoquinolinylcarbonyl]-6-isobutyl-6,7-dihydro[1,2,3]triazolo[1,5-a]pyrazin-4(5H)-one

IUPAC name

n/a

SMILES

CC(C)C[C@@H](Cn1nnc(C(N(CC2)Cc3c2cccc3)=O)c11)NC1=O

InChI

InChI=1S/C19H23N5O2/c1-12(2)9-15-11-24-17(18(25)20-15)16(21-22-24)19(26)23-8-7-13-5-3-4-6-14(13)10-23/h3-6,12,15H,7-11H2,1-2H3,(H,20,25)/t15-/m0/s1

InChI Key

QKBNEQJXYRYEBO-HNNXBMFYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

353.42

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.870

Distribution Coefficient, logD

1.870

Water Solubility, LogSw

-2.35

Polar Surface Area

68.263

Acid Dissociation Constant (pKa)

13.23

Base Dissociation Constant (pKb)

-3.49

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

47.37

SD69-0533 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 SD69-0533 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SD69-0533?
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What is the minimum amount of SD69-0533 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SD69-0533
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SD69-0533
  • 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 SD69-0533 available by request