S904-1063 Screening compound: (3S,5S)-1-[(1-isopropyl-1H-pyrazol-4-yl)methyl]-5-(7-methyl-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl)tetrahydro-1H-pyrrol-3-ol

S904-1063 Screening compound: (3S,5S)-1-[(1-isopropyl-1H-pyrazol-4-yl)methyl]-5-(7-methyl-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl)tetrahydro-1H-pyrrol-3-ol
S904-1063 Screening compound: (3S,5S)-1-[(1-isopropyl-1H-pyrazol-4-yl)methyl]-5-(7-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 S904-1063
(3S,5S)-1-[(1-isopropyl-1H-pyrazol-4-yl)methyl]-5-(7-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

S904-1063

Molecular Formula

C17H27N7O (C17 H27 N7 O)

Compound Name

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

IUPAC name

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

SMILES

CC(C)n1ncc(CN(C[C@H](C2)O)[C@@H]2c2nnc3n2CCN(C)C3)c1

InChI

InChI=1S/C17H27N7O/c1-12(2)24-9-13(7-18-24)8-22-10-14(25)6-15(22)17-20-19-16-11-21(3)4-5-23(16)17/h7,9,12,14-15,25H,4-6,8,10-11H2,1-3H3/t14-,15+/m0/s1

InChI Key

SOJICTPHSBXPJT-LSDHHAIUSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

345.45

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

-0.684

Distribution Coefficient, logD

-4.211

Water Solubility, LogSw

0.06

Polar Surface Area

62.917

Acid Dissociation Constant (pKa)

17.02

Base Dissociation Constant (pKb)

10.93

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

70.59

S904-1063 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 S904-1063 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S904-1063?
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What is the minimum amount of S904-1063 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S904-1063
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S904-1063
  • 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 S904-1063 available by request