S625-0004 Screening compound: (2,6-dimethoxy-3-pyridyl)[3-[(2S,4R)-4-hydroxy-1-methyltetrahydro-1H-pyrrol-2-yl]-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl]methanone

S625-0004 Screening compound: (2,6-dimethoxy-3-pyridyl)[3-[(2S,4R)-4-hydroxy-1-methyltetrahydro-1H-pyrrol-2-yl]-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl]methanone
S625-0004 Screening compound: (2,6-dimethoxy-3-pyridyl)[3-[(2S,4R)-4-hydroxy-1-methyltetrahydro-1H-pyrrol-2-yl]-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl]methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound S625-0004
(2,6-dimethoxy-3-pyridyl)[3-[(2S,4R)-4-hydroxy-1-methyltetrahydro-1H-pyrrol-2-yl]-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl]methanone

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

S625-0004

Molecular Formula

C18H24N6O4 (C18 H24 N6 O4)

Compound Name

(2,6-dimethoxy-3-pyridyl)[3-[(2S,4R)-4-hydroxy-1-methyltetrahydro-1H-pyrrol-2-yl]-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl]methanone

IUPAC name

n/a

SMILES

CN(C[C@@H](C1)O)[C@@H]1c1nnc(C2)n1CCN2C(c(ccc(OC)n1)c1OC)=O

InChI

InChI=1S/C18H24N6O4/c1-22-9-11(25)8-13(22)16-21-20-14-10-23(6-7-24(14)16)18(26)12-4-5-15(27-2)19-17(12)28-3/h4-5,11,13,25H,6-10H2,1-3H3/t11-,13-/m0/s1

InChI Key

PYCLGQRSWIULKT-AAEUAGOBSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

388.43

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

-0.163

Distribution Coefficient, logD

-0.209

Water Solubility, LogSw

-2.17

Polar Surface Area

85.283

Acid Dissociation Constant (pKa)

17.02

Base Dissociation Constant (pKb)

6.45

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

55.56

S625-0004 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with S625-0004 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S625-0004?
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What is the minimum amount of S625-0004 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S625-0004
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S625-0004
  • 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 S625-0004 available by request