S904-0037 Screening compound: (3S,5S)-1-isopropyl-5-{7-[(5-methyl-2-thienyl)methyl]-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl}tetrahydro-1H-pyrrol-3-ol

S904-0037 Screening compound: (3S,5S)-1-isopropyl-5-{7-[(5-methyl-2-thienyl)methyl]-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl}tetrahydro-1H-pyrrol-3-ol
S904-0037 Screening compound: (3S,5S)-1-isopropyl-5-{7-[(5-methyl-2-thienyl)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 S904-0037
(3S,5S)-1-isopropyl-5-{7-[(5-methyl-2-thienyl)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

S904-0037

Molecular Formula

C18H27N5OS (C18 H27 N5 OS)

Compound Name

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

IUPAC name

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

SMILES

CC(C)N(C[C@H](C1)O)[C@@H]1c1nnc2n1CCN(Cc1ccc(C)s1)C2

InChI

InChI=1S/C18H27N5OS/c1-12(2)23-9-14(24)8-16(23)18-20-19-17-11-21(6-7-22(17)18)10-15-5-4-13(3)25-15/h4-5,12,14,16,24H,6-11H2,1-3H3/t14-,16+/m1/s1

InChI Key

RMLLWSFFCPJWRM-ZBFHGGJFSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

361.51

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.610

Distribution Coefficient, logD

1.443

Water Solubility, LogSw

-1.51

Polar Surface Area

49.196

Acid Dissociation Constant (pKa)

17.02

Base Dissociation Constant (pKb)

7.07

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

66.67

S904-0037 in Drug Discovery

Included in Screening Libraries

Natural-Product-Based Library (3730 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with S904-0037 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S904-0037?
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What is the minimum amount of S904-0037 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S904-0037
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S904-0037
  • 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 S904-0037 available by request