S904-0125 Screening compound: (3S,5S)-1-isopropyl-5-{7-[(1-isopropyl-1H-pyrazol-4-yl)methyl]-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl}tetrahydro-1H-pyrrol-3-ol

S904-0125 Screening compound: (3S,5S)-1-isopropyl-5-{7-[(1-isopropyl-1H-pyrazol-4-yl)methyl]-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl}tetrahydro-1H-pyrrol-3-ol
S904-0125 Screening compound: (3S,5S)-1-isopropyl-5-{7-[(1-isopropyl-1H-pyrazol-4-yl)methyl]-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl}tetrahydro-1H-pyrrol-3-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound S904-0125
(3S,5S)-1-isopropyl-5-{7-[(1-isopropyl-1H-pyrazol-4-yl)methyl]-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl}tetrahydro-1H-pyrrol-3-ol

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

S904-0125

Molecular Formula

C19H31N7O (C19 H31 N7 O)

Compound Name

(3S,5S)-1-isopropyl-5-{7-[(1-isopropyl-1H-pyrazol-4-yl)methyl]-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl}tetrahydro-1H-pyrrol-3-ol

IUPAC name

(3S5S)-1-(propan-2-yl)-5-(7-{[1-(propan-2-yl)-1H-pyrazol-4-yl]methyl}-5H6H7H8H-[124]triazolo[43-a]pyrazin-3-yl)pyrrolidin-3-ol

SMILES

CC(C)N(C[C@H](C1)O)[C@@H]1c1nnc2n1CCN(Cc1cn(C(C)C)nc1)C2

InChI

InChI=1S/C19H31N7O/c1-13(2)25-11-16(27)7-17(25)19-22-21-18-12-23(5-6-24(18)19)9-15-8-20-26(10-15)14(3)4/h8,10,13-14,16-17,27H,5-7,9,11-12H2,1-4H3/t16-,17+/m0/s1

InChI Key

HOVLJQITZYCFRJ-DLBZAZTESA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

373.5

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.316

Distribution Coefficient, logD

-2.420

Water Solubility, LogSw

-0.40

Polar Surface Area

63.138

Acid Dissociation Constant (pKa)

17.02

Base Dissociation Constant (pKb)

10.14

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

73.68

S904-0125 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 S904-0125 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S904-0125?
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What is the minimum amount of S904-0125 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S904-0125
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S904-0125
  • 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 S904-0125 available by request