S904-0966 Screening compound: (3S,5S)-5-(7-methyl-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-1-(3-pyridylmethyl)tetrahydro-1H-pyrrol-3-ol

S904-0966 Screening compound: (3S,5S)-5-(7-methyl-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-1-(3-pyridylmethyl)tetrahydro-1H-pyrrol-3-ol
S904-0966 Screening compound: (3S,5S)-5-(7-methyl-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-1-(3-pyridylmethyl)tetrahydro-1H-pyrrol-3-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound S904-0966
(3S,5S)-5-(7-methyl-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-1-(3-pyridylmethyl)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

S904-0966

Molecular Formula

C16H22N6O (C16 H22 N6 O)

Compound Name

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

IUPAC name

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

SMILES

CN1Cc2nnc([C@H](C3)N(Cc4cnccc4)C[C@H]3O)n2CC1

InChI

InChI=1S/C16H22N6O/c1-20-5-6-22-15(11-20)18-19-16(22)14-7-13(23)10-21(14)9-12-3-2-4-17-8-12/h2-4,8,13-14,23H,5-7,9-11H2,1H3/t13-,14+/m0/s1

InChI Key

GHNXGQYLNHYMPC-UONOGXRCSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

314.39

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

-1.094

Distribution Coefficient, logD

-1.104

Water Solubility, LogSw

-0.01

Polar Surface Area

57.473

Acid Dissociation Constant (pKa)

17.02

Base Dissociation Constant (pKb)

5.76

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

56.25

S904-0966 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 S904-0966 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of S904-0966 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S904-0966
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S904-0966
  • 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 S904-0966 available by request