F831-1121 Screening compound: N~1~-(4-bromophenyl)-2-{[9-(4-methoxyphenyl)pyrazolo[1,5-a][1,2,4]triazolo[3,4-c]pyrazin-3-yl]sulfanyl}acetamide

F831-1121 Screening compound: N~1~-(4-bromophenyl)-2-{[9-(4-methoxyphenyl)pyrazolo[1,5-a][1,2,4]triazolo[3,4-c]pyrazin-3-yl]sulfanyl}acetamide
F831-1121 Screening compound: N~1~-(4-bromophenyl)-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 F831-1121
N~1~-(4-bromophenyl)-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

F831-1121

Molecular Formula

C22H17BrN6O2S (C22 H17 BrN6 O2 S)

Compound Name

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

IUPAC name

N-(4-bromophenyl)-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)ccc3Br)=O)nnc22)c2c1

InChI

InChI=1S/C22H17BrN6O2S/c1-31-17-8-2-14(3-9-17)18-12-19-21-25-26-22(28(21)10-11-29(19)27-18)32-13-20(30)24-16-6-4-15(23)5-7-16/h2-12H,13H2,1H3,(H,24,30)

InChI Key

PVPIWQPSWWWICO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27197174

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

509.39

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.037

Distribution Coefficient, logD

3.992

Water Solubility, LogSw

-4.21

Polar Surface Area

64.001

Acid Dissociation Constant (pKa)

11.03

Base Dissociation Constant (pKb)

6.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

F831-1121 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Immunological Library (6760 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Immune system

References: we are preparing a list of scientific research reports with F831-1121 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F831-1121?
Check Price and Availability of F831-1121, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of F831-1121 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F831-1121
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F831-1121
  • 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 F831-1121 available by request