S904-1018 Screening compound: (3S,5S)-5-(7-methyl-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-1-(1H-pyrrol-2-ylmethyl)tetrahydro-1H-pyrrol-3-ol

S904-1018 Screening compound: (3S,5S)-5-(7-methyl-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-1-(1H-pyrrol-2-ylmethyl)tetrahydro-1H-pyrrol-3-ol
S904-1018 Screening compound: (3S,5S)-5-(7-methyl-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-1-(1H-pyrrol-2-ylmethyl)tetrahydro-1H-pyrrol-3-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound S904-1018
(3S,5S)-5-(7-methyl-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-1-(1H-pyrrol-2-ylmethyl)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

S904-1018

Molecular Formula

C15H22N6O (C15 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-(1H-pyrrol-2-ylmethyl)tetrahydro-1H-pyrrol-3-ol

IUPAC name

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

SMILES

CN1Cc2nnc([C@H](C3)N(Cc4ccc[nH]4)C[C@H]3O)n2CC1

InChI

InChI=1S/C15H22N6O/c1-19-5-6-21-14(10-19)17-18-15(21)13-7-12(22)9-20(13)8-11-3-2-4-16-11/h2-4,12-13,16,22H,5-10H2,1H3/t12-,13+/m0/s1

InChI Key

WUOVALFQSVBNGQ-QWHCGFSZSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

302.38

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

-0.753

Distribution Coefficient, logD

-0.763

Water Solubility, LogSw

-0.97

Polar Surface Area

58.517

Acid Dissociation Constant (pKa)

17.02

Base Dissociation Constant (pKb)

5.76

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

60.00

S904-1018 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 S904-1018 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S904-1018?
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What is the minimum amount of S904-1018 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S904-1018
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S904-1018
  • 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 S904-1018 available by request