S904-1718 Screening compound: (3S,5S)-1-[(1-methyl-1H-indol-3-yl)methyl]-5-(7-methyl-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl)tetrahydro-1H-pyrrol-3-ol

S904-1718 Screening compound: (3S,5S)-1-[(1-methyl-1H-indol-3-yl)methyl]-5-(7-methyl-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl)tetrahydro-1H-pyrrol-3-ol
S904-1718 Screening compound: (3S,5S)-1-[(1-methyl-1H-indol-3-yl)methyl]-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 S904-1718
(3S,5S)-1-[(1-methyl-1H-indol-3-yl)methyl]-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

S904-1718

Molecular Formula

C20H26N6O (C20 H26 N6 O)

Compound Name

(3S,5S)-1-[(1-methyl-1H-indol-3-yl)methyl]-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-[(1-methyl-1H-indol-3-yl)methyl]-5-{7-methyl-5H6H7H8H-[124]triazolo[43-a]pyrazin-3-yl}pyrrolidin-3-ol

SMILES

Cn1c(cccc2)c2c(CN(C[C@H](C2)O)[C@@H]2c2nnc3n2CCN(C)C3)c1

InChI

InChI=1S/C20H26N6O/c1-23-7-8-26-19(13-23)21-22-20(26)18-9-15(27)12-25(18)11-14-10-24(2)17-6-4-3-5-16(14)17/h3-6,10,15,18,27H,7-9,11-13H2,1-2H3/t15-,18+/m0/s1

InChI Key

ROEGDYISBVQKCT-MAUKXSAKSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

366.47

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.457

Distribution Coefficient, logD

-0.212

Water Solubility, LogSw

-0.90

Polar Surface Area

50.515

Acid Dissociation Constant (pKa)

17.02

Base Dissociation Constant (pKb)

7.96

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

50.00

S904-1718 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 S904-1718 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S904-1718?
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What is the minimum amount of S904-1718 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S904-1718
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S904-1718
  • 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 S904-1718 available by request