F831-1109 Screening compound: ethyl 4-[(2-{[9-(4-methoxyphenyl)pyrazolo[1,5-a][1,2,4]triazolo[3,4-c]pyrazin-3-yl]sulfanyl}acetyl)amino]benzoate

F831-1109 Screening compound: ethyl 4-[(2-{[9-(4-methoxyphenyl)pyrazolo[1,5-a][1,2,4]triazolo[3,4-c]pyrazin-3-yl]sulfanyl}acetyl)amino]benzoate
F831-1109 Screening compound: ethyl 4-[(2-{[9-(4-methoxyphenyl)pyrazolo[1,5-a][1,2,4]triazolo[3,4-c]pyrazin-3-yl]sulfanyl}acetyl)amino]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound F831-1109
ethyl 4-[(2-{[9-(4-methoxyphenyl)pyrazolo[1,5-a][1,2,4]triazolo[3,4-c]pyrazin-3-yl]sulfanyl}acetyl)amino]benzoate

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

F831-1109

Molecular Formula

C25H22N6O4S (C25 H22 N6 O4 S)

Compound Name

ethyl 4-[(2-{[9-(4-methoxyphenyl)pyrazolo[1,5-a][1,2,4]triazolo[3,4-c]pyrazin-3-yl]sulfanyl}acetyl)amino]benzoate

IUPAC name

ethyl 4-(2-{[11-(4-methoxyphenyl)-346910-pentaazatricyclo[7.3.0.0^{26}]dodeca-1(12)24710-pentaen-5-yl]sulfanyl}acetamido)benzoate

SMILES

CCOC(c(cc1)ccc1NC(CSc1nnc(c2c3)n1ccn2nc3-c(cc1)ccc1OC)=O)=O

InChI

InChI=1S/C25H22N6O4S/c1-3-35-24(33)17-4-8-18(9-5-17)26-22(32)15-36-25-28-27-23-21-14-20(29-31(21)13-12-30(23)25)16-6-10-19(34-2)11-7-16/h4-14H,3,15H2,1-2H3,(H,26,32)

InChI Key

FSYPAYHQWHQBMJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27197171

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

502.55

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.805

Distribution Coefficient, logD

3.760

Water Solubility, LogSw

-4.02

Polar Surface Area

84.755

Acid Dissociation Constant (pKa)

11.14

Base Dissociation Constant (pKb)

6.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.00

F831-1109 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with F831-1109 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F831-1109?
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What is the minimum amount of F831-1109 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F831-1109
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F831-1109
  • 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 F831-1109 available by request