F832-0545 Screening compound: 3-[9-(4-methoxyphenyl)pyrazolo[1,5-a][1,2,4]triazolo[3,4-c]pyrazin-3-yl]-1-(1,4-thiazinan-4-yl)-1-propanone

F832-0545 Screening compound: 3-[9-(4-methoxyphenyl)pyrazolo[1,5-a][1,2,4]triazolo[3,4-c]pyrazin-3-yl]-1-(1,4-thiazinan-4-yl)-1-propanone
F832-0545 Screening compound: 3-[9-(4-methoxyphenyl)pyrazolo[1,5-a][1,2,4]triazolo[3,4-c]pyrazin-3-yl]-1-(1,4-thiazinan-4-yl)-1-propanone alternative view

Chemical Structure Depiction of ChemDiv screening compound F832-0545
3-[9-(4-methoxyphenyl)pyrazolo[1,5-a][1,2,4]triazolo[3,4-c]pyrazin-3-yl]-1-(1,4-thiazinan-4-yl)-1-propanone

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

F832-0545

Molecular Formula

C21H22N6O2S (C21 H22 N6 O2 S)

Compound Name

3-[9-(4-methoxyphenyl)pyrazolo[1,5-a][1,2,4]triazolo[3,4-c]pyrazin-3-yl]-1-(1,4-thiazinan-4-yl)-1-propanone

IUPAC name

3-[11-(4-methoxyphenyl)-346910-pentaazatricyclo[7.3.0.0^{26}]dodeca-1(12)24710-pentaen-5-yl]-1-(thiomorpholin-4-yl)propan-1-one

SMILES

COc(cc1)ccc1-c1nn(ccn2c3nnc2CCC(N2CCSCC2)=O)c3c1

InChI

InChI=1S/C21H22N6O2S/c1-29-16-4-2-15(3-5-16)17-14-18-21-23-22-19(26(21)8-9-27(18)24-17)6-7-20(28)25-10-12-30-13-11-25/h2-5,8-9,14H,6-7,10-13H2,1H3

InChI Key

JCYLCCBQFGITCE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD16638100

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

422.51

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.225

Distribution Coefficient, logD

1.159

Water Solubility, LogSw

-2.11

Polar Surface Area

57.639

Acid Dissociation Constant (pKa)

23.47

Base Dissociation Constant (pKb)

6.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

F832-0545 in Drug Discovery

Included in Screening Libraries

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with F832-0545 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F832-0545?
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What is the minimum amount of F832-0545 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F832-0545
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F832-0545
  • 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 F832-0545 available by request