G802-1147 Screening compound: N-(2,5-difluorophenyl)-2-{[7-(4-ethoxyphenyl)-8-oxo-7H,8H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]sulfanyl}butanamide

G802-1147 Screening compound: N-(2,5-difluorophenyl)-2-{[7-(4-ethoxyphenyl)-8-oxo-7H,8H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]sulfanyl}butanamide
G802-1147 Screening compound: N-(2,5-difluorophenyl)-2-{[7-(4-ethoxyphenyl)-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 G802-1147
N-(2,5-difluorophenyl)-2-{[7-(4-ethoxyphenyl)-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

G802-1147

Molecular Formula

C23H21F2N5O3S (C23 H21 F2 N5 O3 S)

Compound Name

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

IUPAC name

N-(25-difluorophenyl)-2-{[7-(4-ethoxyphenyl)-8-oxo-7H8H-[124]triazolo[43-a]pyrazin-3-yl]sulfanyl}butanamide

SMILES

CCC(C(Nc(cc(cc1)F)c1F)=O)Sc1nnc2n1C=CN(c(cc1)ccc1OCC)C2=O

InChI

InChI=1S/C23H21F2N5O3S/c1-3-19(21(31)26-18-13-14(24)5-10-17(18)25)34-23-28-27-20-22(32)29(11-12-30(20)23)15-6-8-16(9-7-15)33-4-2/h5-13,19H,3-4H2,1-2H3,(H,26,31)/t19-/m0/s1

InChI Key

MKZVUZVNRNUVDI-IBGZPJMESA-N

MDL Number (MFCD)

MFCD27161900

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

485.51

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.520

Distribution Coefficient, logD

3.498

Water Solubility, LogSw

-3.74

Polar Surface Area

68.491

Acid Dissociation Constant (pKa)

8.68

Base Dissociation Constant (pKb)

-5.01

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

21.70

G802-1147 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with G802-1147 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G802-1147?
Check Price and Availability of G802-1147, 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 G802-1147 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G802-1147
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G802-1147
  • 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 G802-1147 available by request