G802-0451 Screening compound: N-(4-bromo-2-fluorophenyl)-2-{[7-(4-fluorophenyl)-8-oxo-7H,8H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]sulfanyl}acetamide

G802-0451 Screening compound: N-(4-bromo-2-fluorophenyl)-2-{[7-(4-fluorophenyl)-8-oxo-7H,8H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]sulfanyl}acetamide
G802-0451 Screening compound: N-(4-bromo-2-fluorophenyl)-2-{[7-(4-fluorophenyl)-8-oxo-7H,8H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]sulfanyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G802-0451
N-(4-bromo-2-fluorophenyl)-2-{[7-(4-fluorophenyl)-8-oxo-7H,8H-[1,2,4]triazolo[4,3-a]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

G802-0451

Molecular Formula

C19H12BrF2N5O2S (C19 H12 BrF2 N5 O2 S)

Compound Name

N-(4-bromo-2-fluorophenyl)-2-{[7-(4-fluorophenyl)-8-oxo-7H,8H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]sulfanyl}acetamide

IUPAC name

N-(4-bromo-2-fluorophenyl)-2-{[7-(4-fluorophenyl)-8-oxo-7H8H-[124]triazolo[43-a]pyrazin-3-yl]sulfanyl}acetamide

SMILES

O=C(CSc1nnc2n1C=CN(c(cc1)ccc1F)C2=O)Nc(ccc(Br)c1)c1F

InChI

InChI=1S/C19H12BrF2N5O2S/c20-11-1-6-15(14(22)9-11)23-16(28)10-30-19-25-24-17-18(29)26(7-8-27(17)19)13-4-2-12(21)3-5-13/h1-9H,10H2,(H,23,28)

InChI Key

BZJQTMSDDSHPQF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27161390

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

492.3

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.445

Distribution Coefficient, logD

2.439

Water Solubility, LogSw

-2.88

Polar Surface Area

61.154

Acid Dissociation Constant (pKa)

9.21

Base Dissociation Constant (pKb)

0.60

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.30

G802-0451 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Anticancer Library (62698 compounds)

Immunological Library (6760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Cancer
  • Immune system

References: we are preparing a list of scientific research reports with G802-0451 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G802-0451?
Check Price and Availability of G802-0451, 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 G802-0451 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G802-0451
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G802-0451
  • 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 G802-0451 available by request