F831-0098 Screening compound: 2-[(9-phenylpyrazolo[1,5-a][1,2,4]triazolo[3,4-c]pyrazin-3-yl)sulfanyl]-1-(1-pyrrolidinyl)-1-ethanone

F831-0098 Screening compound: 2-[(9-phenylpyrazolo[1,5-a][1,2,4]triazolo[3,4-c]pyrazin-3-yl)sulfanyl]-1-(1-pyrrolidinyl)-1-ethanone
F831-0098 Screening compound: 2-[(9-phenylpyrazolo[1,5-a][1,2,4]triazolo[3,4-c]pyrazin-3-yl)sulfanyl]-1-(1-pyrrolidinyl)-1-ethanone alternative view

Chemical Structure Depiction of ChemDiv screening compound F831-0098
2-[(9-phenylpyrazolo[1,5-a][1,2,4]triazolo[3,4-c]pyrazin-3-yl)sulfanyl]-1-(1-pyrrolidinyl)-1-ethanone

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

F831-0098

Molecular Formula

C19H18N6OS (C19 H18 N6 OS)

Compound Name

2-[(9-phenylpyrazolo[1,5-a][1,2,4]triazolo[3,4-c]pyrazin-3-yl)sulfanyl]-1-(1-pyrrolidinyl)-1-ethanone

IUPAC name

2-({11-phenyl-346910-pentaazatricyclo[7.3.0.0^{26}]dodeca-1(12)24710-pentaen-5-yl}sulfanyl)-1-(pyrrolidin-1-yl)ethan-1-one

SMILES

O=C(CSc1nnc(c2c3)n1ccn2nc3-c1ccccc1)N1CCCC1

InChI

InChI=1S/C19H18N6OS/c26-17(23-8-4-5-9-23)13-27-19-21-20-18-16-12-15(14-6-2-1-3-7-14)22-25(16)11-10-24(18)19/h1-3,6-7,10-12H,4-5,8-9,13H2

InChI Key

FYNKTGYFKWCCDW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD16637857

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

378.46

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.160

Distribution Coefficient, logD

2.089

Water Solubility, LogSw

-2.51

Polar Surface Area

50.066

Acid Dissociation Constant (pKa)

19.52

Base Dissociation Constant (pKb)

6.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.30

F831-0098 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with F831-0098 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F831-0098?
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What is the minimum amount of F831-0098 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F831-0098
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F831-0098
  • 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 F831-0098 available by request