SD69-0042 Screening compound: (6S)-N~3~-(3,5-difluorobenzyl)-6-methyl-4-oxo-4,5,6,7-tetrahydro[1,2,3]triazolo[1,5-a]pyrazine-3-carboxamide

SD69-0042 Screening compound: (6S)-N~3~-(3,5-difluorobenzyl)-6-methyl-4-oxo-4,5,6,7-tetrahydro[1,2,3]triazolo[1,5-a]pyrazine-3-carboxamide
SD69-0042 Screening compound: (6S)-N~3~-(3,5-difluorobenzyl)-6-methyl-4-oxo-4,5,6,7-tetrahydro[1,2,3]triazolo[1,5-a]pyrazine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SD69-0042
(6S)-N~3~-(3,5-difluorobenzyl)-6-methyl-4-oxo-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

SD69-0042

Molecular Formula

C14H13F2N5O2 (C14 H13 F2 N5 O2)

Compound Name

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

IUPAC name

n/a

SMILES

C[C@@H](Cn1nnc(C(NCc2cc(F)cc(F)c2)=O)c11)NC1=O

InChI

InChI=1S/C14H13F2N5O2/c1-7-6-21-12(14(23)18-7)11(19-20-21)13(22)17-5-8-2-9(15)4-10(16)3-8/h2-4,7H,5-6H2,1H3,(H,17,22)(H,18,23)/t7-/m1/s1

InChI Key

FXUUCKAGZVTFTO-SSDOTTSWSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

321.29

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

0.483

Distribution Coefficient, logD

0.483

Water Solubility, LogSw

-1.52

Polar Surface Area

75.759

Acid Dissociation Constant (pKa)

11.60

Base Dissociation Constant (pKb)

-3.37

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.57

References: we are preparing a list of scientific research reports with SD69-0042 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SD69-0042?
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What is the minimum amount of SD69-0042 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SD69-0042
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SD69-0042
  • 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 SD69-0042 available by request