SD12-0066 Screening compound: 4-(1H-indol-3-ylmethyl)-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]tetrahydro-2(1H)-pyrazinone

SD12-0066 Screening compound: 4-(1H-indol-3-ylmethyl)-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]tetrahydro-2(1H)-pyrazinone
SD12-0066 Screening compound: 4-(1H-indol-3-ylmethyl)-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]tetrahydro-2(1H)-pyrazinone alternative view

Chemical Structure Depiction of ChemDiv screening compound SD12-0066
4-(1H-indol-3-ylmethyl)-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]tetrahydro-2(1H)-pyrazinone

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

SD12-0066

Molecular Formula

C17H19N5O2 (C17 H19 N5 O2)

Compound Name

4-(1H-indol-3-ylmethyl)-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]tetrahydro-2(1H)-pyrazinone

IUPAC name

4-[(1H-indol-3-yl)methyl]-3-[(3-methyl-124-oxadiazol-5-yl)methyl]piperazin-2-one

SMILES

Cc1noc(CC2N(Cc3c[nH]c4c3cccc4)CCNC2=O)n1

InChI

InChI=1S/C17H19N5O2/c1-11-20-16(24-21-11)8-15-17(23)18-6-7-22(15)10-12-9-19-14-5-3-2-4-13(12)14/h2-5,9,15,19H,6-8,10H2,1H3,(H,18,23)/t15-/m0/s1

InChI Key

FDSRACBKZKXBLG-HNNXBMFYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

325.37

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.158

Distribution Coefficient, logD

0.395

Water Solubility, LogSw

-2.06

Polar Surface Area

69.514

Acid Dissociation Constant (pKa)

13.55

Base Dissociation Constant (pKb)

8.08

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

35.29

SD12-0066 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

CNS Targets (44014 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with SD12-0066 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SD12-0066?
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What is the minimum amount of SD12-0066 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SD12-0066
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SD12-0066
  • 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 SD12-0066 available by request