G802-0756 Screening compound: N-(3-chloro-4-methylphenyl)-2-{[7-(3-methoxyphenyl)-8-oxo-7H,8H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]sulfanyl}butanamide

G802-0756 Screening compound: N-(3-chloro-4-methylphenyl)-2-{[7-(3-methoxyphenyl)-8-oxo-7H,8H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]sulfanyl}butanamide
G802-0756 Screening compound: N-(3-chloro-4-methylphenyl)-2-{[7-(3-methoxyphenyl)-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 G802-0756
N-(3-chloro-4-methylphenyl)-2-{[7-(3-methoxyphenyl)-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

G802-0756

Molecular Formula

C23H22ClN5O3S (C23 H22 ClN5 O3 S)

Compound Name

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

IUPAC name

N-(3-chloro-4-methylphenyl)-2-{[7-(3-methoxyphenyl)-8-oxo-7H8H-[124]triazolo[43-a]pyrazin-3-yl]sulfanyl}butanamide

SMILES

CCC(C(Nc1cc(Cl)c(C)cc1)=O)Sc1nnc2n1C=CN(c1cc(OC)ccc1)C2=O

InChI

InChI=1S/C23H22ClN5O3S/c1-4-19(21(30)25-15-9-8-14(2)18(24)12-15)33-23-27-26-20-22(31)28(10-11-29(20)23)16-6-5-7-17(13-16)32-3/h5-13,19H,4H2,1-3H3,(H,25,30)/t19-/m0/s1

InChI Key

BPWQNWGUOUSJSP-IBGZPJMESA-N

MDL Number (MFCD)

MFCD27161678

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

483.98

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.254

Distribution Coefficient, logD

4.254

Water Solubility, LogSw

-4.51

Polar Surface Area

69.609

Acid Dissociation Constant (pKa)

10.44

Base Dissociation Constant (pKb)

1.39

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

21.70

G802-0756 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with G802-0756 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G802-0756?
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What is the minimum amount of G802-0756 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G802-0756
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G802-0756
  • 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 G802-0756 available by request