F831-1105 Screening compound: N~1~-(4-cyanophenyl)-2-{[9-(4-methoxyphenyl)pyrazolo[1,5-a][1,2,4]triazolo[3,4-c]pyrazin-3-yl]sulfanyl}acetamide

F831-1105 Screening compound: N~1~-(4-cyanophenyl)-2-{[9-(4-methoxyphenyl)pyrazolo[1,5-a][1,2,4]triazolo[3,4-c]pyrazin-3-yl]sulfanyl}acetamide
F831-1105 Screening compound: N~1~-(4-cyanophenyl)-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 F831-1105
N~1~-(4-cyanophenyl)-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

F831-1105

Molecular Formula

C23H17N7O2S (C23 H17 N7 O2 S)

Compound Name

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

IUPAC name

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

SMILES

COc(cc1)ccc1-c1nn(ccn2c(SCC(Nc(cc3)ccc3C#N)=O)nnc22)c2c1

InChI

InChI=1S/C23H17N7O2S/c1-32-18-8-4-16(5-9-18)19-12-20-22-26-27-23(29(22)10-11-30(20)28-19)33-14-21(31)25-17-6-2-15(13-24)3-7-17/h2-12H,14H2,1H3,(H,25,31)

InChI Key

OXQNDPXNPKCWLE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD16637650

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

455.5

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.858

Distribution Coefficient, logD

2.812

Water Solubility, LogSw

-3.63

Polar Surface Area

81.057

Acid Dissociation Constant (pKa)

10.59

Base Dissociation Constant (pKb)

6.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.70

F831-1105 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 F831-1105 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F831-1105?
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What is the minimum amount of F831-1105 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F831-1105
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F831-1105
  • 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 F831-1105 available by request