SD70-0218 Screening compound: (7S)-7-isobutyl-5-{2-[4-(methoxymethyl)piperidino]-2-oxoethyl}-4,5-dihydro[1,2,3]triazolo[1,5-a]pyrazin-6(7H)-one

SD70-0218 Screening compound: (7S)-7-isobutyl-5-{2-[4-(methoxymethyl)piperidino]-2-oxoethyl}-4,5-dihydro[1,2,3]triazolo[1,5-a]pyrazin-6(7H)-one
SD70-0218 Screening compound: (7S)-7-isobutyl-5-{2-[4-(methoxymethyl)piperidino]-2-oxoethyl}-4,5-dihydro[1,2,3]triazolo[1,5-a]pyrazin-6(7H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound SD70-0218
(7S)-7-isobutyl-5-{2-[4-(methoxymethyl)piperidino]-2-oxoethyl}-4,5-dihydro[1,2,3]triazolo[1,5-a]pyrazin-6(7H)-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

SD70-0218

Molecular Formula

C18H29N5O3 (C18 H29 N5 O3)

Compound Name

(7S)-7-isobutyl-5-{2-[4-(methoxymethyl)piperidino]-2-oxoethyl}-4,5-dihydro[1,2,3]triazolo[1,5-a]pyrazin-6(7H)-one

IUPAC name

n/a

SMILES

CC(C)C[C@@H]1n2nncc2CN(CC(N2CCC(COC)CC2)=O)C1=O

InChI

InChI=1S/C18H29N5O3/c1-13(2)8-16-18(25)22(10-15-9-19-20-23(15)16)11-17(24)21-6-4-14(5-7-21)12-26-3/h9,13-14,16H,4-8,10-12H2,1-3H3/t16-/m0/s1

InChI Key

QWUTVIZJRMVWIS-INIZCTEOSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

363.46

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.798

Distribution Coefficient, logD

0.798

Water Solubility, LogSw

-0.62

Polar Surface Area

68.009

Acid Dissociation Constant (pKa)

16.87

Base Dissociation Constant (pKb)

1.66

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

77.78

SD70-0218 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 SD70-0218 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SD70-0218?
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What is the minimum amount of SD70-0218 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SD70-0218
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SD70-0218
  • 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 SD70-0218 available by request