S904-0064 Screening compound: (3S,5S)-1-isopropyl-5-(7-tetrahydro-2H-pyran-4-yl-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl)tetrahydro-1H-pyrrol-3-ol

S904-0064 Screening compound: (3S,5S)-1-isopropyl-5-(7-tetrahydro-2H-pyran-4-yl-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl)tetrahydro-1H-pyrrol-3-ol
S904-0064 Screening compound: (3S,5S)-1-isopropyl-5-(7-tetrahydro-2H-pyran-4-yl-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 S904-0064
(3S,5S)-1-isopropyl-5-(7-tetrahydro-2H-pyran-4-yl-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

S904-0064

Molecular Formula

C17H29N5O2 (C17 H29 N5 O2)

Compound Name

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

IUPAC name

n/a

SMILES

CC(C)N(C[C@H](C1)O)[C@@H]1c1nnc(C2)n1CCN2C1CCOCC1

InChI

InChI=1S/C17H29N5O2/c1-12(2)22-10-14(23)9-15(22)17-19-18-16-11-20(5-6-21(16)17)13-3-7-24-8-4-13/h12-15,23H,3-11H2,1-2H3/t14-,15-/m0/s1

InChI Key

PQXUJHVHRNZEFO-GJZGRUSLSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

335.45

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

-0.047

Distribution Coefficient, logD

-0.214

Water Solubility, LogSw

-0.07

Polar Surface Area

55.639

Acid Dissociation Constant (pKa)

17.02

Base Dissociation Constant (pKb)

7.07

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

88.24

S904-0064 in Drug Discovery

Included in Screening Libraries

Nucleoside Mimetics Library (2197 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Cancer
  • Immune system
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with S904-0064 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S904-0064?
Check Price and Availability of S904-0064, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of S904-0064 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S904-0064
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S904-0064
  • 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 S904-0064 available by request