F831-1096 Screening compound: N~1~-(2,5-diethoxyphenyl)-2-{[9-(4-methoxyphenyl)pyrazolo[1,5-a][1,2,4]triazolo[3,4-c]pyrazin-3-yl]sulfanyl}acetamide

F831-1096 Screening compound: N~1~-(2,5-diethoxyphenyl)-2-{[9-(4-methoxyphenyl)pyrazolo[1,5-a][1,2,4]triazolo[3,4-c]pyrazin-3-yl]sulfanyl}acetamide
F831-1096 Screening compound: N~1~-(2,5-diethoxyphenyl)-2-{[9-(4-methoxyphenyl)pyrazolo[1,5-a][1,2,4]triazolo[3,4-c]pyrazin-3-yl]sulfanyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F831-1096
N~1~-(2,5-diethoxyphenyl)-2-{[9-(4-methoxyphenyl)pyrazolo[1,5-a][1,2,4]triazolo[3,4-c]pyrazin-3-yl]sulfanyl}acetamide

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

F831-1096

Molecular Formula

C26H26N6O4S (C26 H26 N6 O4 S)

Compound Name

N~1~-(2,5-diethoxyphenyl)-2-{[9-(4-methoxyphenyl)pyrazolo[1,5-a][1,2,4]triazolo[3,4-c]pyrazin-3-yl]sulfanyl}acetamide

IUPAC name

N-(25-diethoxyphenyl)-2-{[11-(4-methoxyphenyl)-346910-pentaazatricyclo[7.3.0.0^{26}]dodeca-1(12)24710-pentaen-5-yl]sulfanyl}acetamide

SMILES

CCOc(cc1)cc(NC(CSc2nnc(c3c4)n2ccn3nc4-c(cc2)ccc2OC)=O)c1OCC

InChI

InChI=1S/C26H26N6O4S/c1-4-35-19-10-11-23(36-5-2)21(14-19)27-24(33)16-37-26-29-28-25-22-15-20(30-32(22)13-12-31(25)26)17-6-8-18(34-3)9-7-17/h6-15H,4-5,16H2,1-3H3,(H,27,33)

InChI Key

UQPLNBPCLOOQMF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27197170

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

518.6

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.696

Distribution Coefficient, logD

3.650

Water Solubility, LogSw

-3.94

Polar Surface Area

77.637

Acid Dissociation Constant (pKa)

10.42

Base Dissociation Constant (pKb)

6.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

F831-1096 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

SmartTM Library (51161 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 F831-1096 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F831-1096?
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What is the minimum amount of F831-1096 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F831-1096
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F831-1096
  • 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 F831-1096 available by request