SD69-0495 Screening compound: (6S)-3-{[4-(4-fluorobenzyl)piperazino]carbonyl}-6-isobutyl-6,7-dihydro[1,2,3]triazolo[1,5-a]pyrazin-4(5H)-one

SD69-0495 Screening compound: (6S)-3-{[4-(4-fluorobenzyl)piperazino]carbonyl}-6-isobutyl-6,7-dihydro[1,2,3]triazolo[1,5-a]pyrazin-4(5H)-one
SD69-0495 Screening compound: (6S)-3-{[4-(4-fluorobenzyl)piperazino]carbonyl}-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 SD69-0495
(6S)-3-{[4-(4-fluorobenzyl)piperazino]carbonyl}-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

SD69-0495

Molecular Formula

C21H27FN6O2 (C21 H27 FN6 O2)

Compound Name

(6S)-3-{[4-(4-fluorobenzyl)piperazino]carbonyl}-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(N2CCN(Cc(cc3)ccc3F)CC2)=O)c11)NC1=O

InChI

InChI=1S/C21H27FN6O2/c1-14(2)11-17-13-28-19(20(29)23-17)18(24-25-28)21(30)27-9-7-26(8-10-27)12-15-3-5-16(22)6-4-15/h3-6,14,17H,7-13H2,1-2H3,(H,23,29)/t17-/m1/s1

InChI Key

GZGCHWOGGHUUNN-QGZVFWFLSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

414.48

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.346

Distribution Coefficient, logD

1.339

Water Solubility, LogSw

-2.23

Polar Surface Area

72.141

Acid Dissociation Constant (pKa)

13.23

Base Dissociation Constant (pKb)

5.57

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

52.38

References: we are preparing a list of scientific research reports with SD69-0495 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SD69-0495?
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What is the minimum amount of SD69-0495 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SD69-0495
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SD69-0495
  • 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 SD69-0495 available by request