S904-1687 Screening compound: (3S,5S)-1-(4-methoxy-3-methylbenzyl)-5-(7-methyl-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl)tetrahydro-1H-pyrrol-3-ol

S904-1687 Screening compound: (3S,5S)-1-(4-methoxy-3-methylbenzyl)-5-(7-methyl-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl)tetrahydro-1H-pyrrol-3-ol
S904-1687 Screening compound: (3S,5S)-1-(4-methoxy-3-methylbenzyl)-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 S904-1687
(3S,5S)-1-(4-methoxy-3-methylbenzyl)-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

S904-1687

Molecular Formula

C19H27N5O2 (C19 H27 N5 O2)

Compound Name

(3S,5S)-1-(4-methoxy-3-methylbenzyl)-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)-1-[(4-methoxy-3-methylphenyl)methyl]-5-{7-methyl-5H6H7H8H-[124]triazolo[43-a]pyrazin-3-yl}pyrrolidin-3-ol

SMILES

Cc(cc(CN(C[C@H](C1)O)[C@@H]1c1nnc2n1CCN(C)C2)cc1)c1OC

InChI

InChI=1S/C19H27N5O2/c1-13-8-14(4-5-17(13)26-3)10-23-11-15(25)9-16(23)19-21-20-18-12-22(2)6-7-24(18)19/h4-5,8,15-16,25H,6-7,9-12H2,1-3H3/t15-,16-/m0/s1

InChI Key

PZCRNCFTSMZOSC-HOTGVXAUSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

357.46

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.625

Distribution Coefficient, logD

0.615

Water Solubility, LogSw

-1.65

Polar Surface Area

55.586

Acid Dissociation Constant (pKa)

17.02

Base Dissociation Constant (pKb)

5.76

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

57.90

S904-1687 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 S904-1687 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S904-1687?
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What is the minimum amount of S904-1687 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S904-1687
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S904-1687
  • 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 S904-1687 available by request