S904-0069 Screening compound: (3S,5S)-5-(7-cyclobutyl-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-1-isopropyltetrahydro-1H-pyrrol-3-ol

S904-0069 Screening compound: (3S,5S)-5-(7-cyclobutyl-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-1-isopropyltetrahydro-1H-pyrrol-3-ol
S904-0069 Screening compound: (3S,5S)-5-(7-cyclobutyl-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-1-isopropyltetrahydro-1H-pyrrol-3-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound S904-0069
(3S,5S)-5-(7-cyclobutyl-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-1-isopropyltetrahydro-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

S904-0069

Molecular Formula

C16H27N5O (C16 H27 N5 O)

Compound Name

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

IUPAC name

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

SMILES

CC(C)N(C[C@H](C1)O)[C@@H]1c1nnc(C2)n1CCN2C1CCC1

InChI

InChI=1S/C16H27N5O/c1-11(2)21-9-13(22)8-14(21)16-18-17-15-10-19(6-7-20(15)16)12-4-3-5-12/h11-14,22H,3-10H2,1-2H3/t13-,14+/m0/s1

InChI Key

ABABFSSITDUEAU-UONOGXRCSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

305.42

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.192

Distribution Coefficient, logD

-0.594

Water Solubility, LogSw

-0.09

Polar Surface Area

48.061

Acid Dissociation Constant (pKa)

17.02

Base Dissociation Constant (pKb)

8.11

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

87.50

S904-0069 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with S904-0069 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S904-0069?
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What is the minimum amount of S904-0069 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S904-0069
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S904-0069
  • 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 S904-0069 available by request