G802-0581 Screening compound: N-(2,5-difluorophenyl)-2-({8-oxo-7-phenyl-7H,8H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl}sulfanyl)butanamide

G802-0581 Screening compound: N-(2,5-difluorophenyl)-2-({8-oxo-7-phenyl-7H,8H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl}sulfanyl)butanamide
G802-0581 Screening compound: N-(2,5-difluorophenyl)-2-({8-oxo-7-phenyl-7H,8H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl}sulfanyl)butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G802-0581
N-(2,5-difluorophenyl)-2-({8-oxo-7-phenyl-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

G802-0581

Molecular Formula

C21H17F2N5O2S (C21 H17 F2 N5 O2 S)

Compound Name

N-(2,5-difluorophenyl)-2-({8-oxo-7-phenyl-7H,8H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl}sulfanyl)butanamide

IUPAC name

N-(25-difluorophenyl)-2-({8-oxo-7-phenyl-7H8H-[124]triazolo[43-a]pyrazin-3-yl}sulfanyl)butanamide

SMILES

CCC(C(Nc(cc(cc1)F)c1F)=O)Sc1nnc2n1C=CN(c1ccccc1)C2=O

InChI

InChI=1S/C21H17F2N5O2S/c1-2-17(19(29)24-16-12-13(22)8-9-15(16)23)31-21-26-25-18-20(30)27(10-11-28(18)21)14-6-4-3-5-7-14/h3-12,17H,2H2,1H3,(H,24,29)/t17-/m0/s1

InChI Key

UCTGKXYVKUQFTA-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD27161512

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

441.46

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.029

Distribution Coefficient, logD

3.007

Water Solubility, LogSw

-3.34

Polar Surface Area

61.367

Acid Dissociation Constant (pKa)

8.68

Base Dissociation Constant (pKb)

1.34

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

14.30

References: we are preparing a list of scientific research reports with G802-0581 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G802-0581?
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What is the minimum amount of G802-0581 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G802-0581
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G802-0581
  • 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 G802-0581 available by request