G802-0493 Screening compound: N-(2,4-dimethoxyphenyl)-2-{[7-(4-fluorophenyl)-8-oxo-7H,8H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]sulfanyl}butanamide

G802-0493 Screening compound: N-(2,4-dimethoxyphenyl)-2-{[7-(4-fluorophenyl)-8-oxo-7H,8H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]sulfanyl}butanamide
G802-0493 Screening compound: N-(2,4-dimethoxyphenyl)-2-{[7-(4-fluorophenyl)-8-oxo-7H,8H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]sulfanyl}butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G802-0493
N-(2,4-dimethoxyphenyl)-2-{[7-(4-fluorophenyl)-8-oxo-7H,8H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]sulfanyl}butanamide

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

G802-0493

Molecular Formula

C23H22FN5O4S (C23 H22 FN5 O4 S)

Compound Name

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

IUPAC name

N-(24-dimethoxyphenyl)-2-{[7-(4-fluorophenyl)-8-oxo-7H8H-[124]triazolo[43-a]pyrazin-3-yl]sulfanyl}butanamide

SMILES

CCC(C(Nc(ccc(OC)c1)c1OC)=O)Sc1nnc2n1C=CN(c(cc1)ccc1F)C2=O

InChI

InChI=1S/C23H22FN5O4S/c1-4-19(21(30)25-17-10-9-16(32-2)13-18(17)33-3)34-23-27-26-20-22(31)28(11-12-29(20)23)15-7-5-14(24)6-8-15/h5-13,19H,4H2,1-3H3,(H,25,30)/t19-/m0/s1

InChI Key

WZGWHHXAJBZSJE-IBGZPJMESA-N

MDL Number (MFCD)

MFCD27161428

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

483.52

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.758

Distribution Coefficient, logD

2.758

Water Solubility, LogSw

-3.35

Polar Surface Area

76.541

Acid Dissociation Constant (pKa)

10.67

Base Dissociation Constant (pKb)

1.52

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

21.70

G802-0493 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Immunological Library (6760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Immune system

References: we are preparing a list of scientific research reports with G802-0493 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G802-0493?
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What is the minimum amount of G802-0493 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G802-0493
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G802-0493
  • 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 G802-0493 available by request