G866-0522 Screening compound: 1-{4-[3-(3-fluorophenyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl]piperazin-1-yl}-2-(thiophen-2-yl)ethan-1-one

G866-0522 Screening compound: 1-{4-[3-(3-fluorophenyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl]piperazin-1-yl}-2-(thiophen-2-yl)ethan-1-one
G866-0522 Screening compound: 1-{4-[3-(3-fluorophenyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl]piperazin-1-yl}-2-(thiophen-2-yl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound G866-0522
1-{4-[3-(3-fluorophenyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl]piperazin-1-yl}-2-(thiophen-2-yl)ethan-1-one

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

G866-0522

Molecular Formula

C20H18FN7OS (C20 H18 FN7 OS)

Compound Name

1-{4-[3-(3-fluorophenyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl]piperazin-1-yl}-2-(thiophen-2-yl)ethan-1-one

IUPAC name

1-{4-[3-(3-fluorophenyl)-3H-[123]triazolo[45-d]pyrimidin-7-yl]piperazin-1-yl}-2-(thiophen-2-yl)ethan-1-one

SMILES

O=C(Cc1cccs1)N(CC1)CCN1c1ncnc2c1nnn2-c1cc(F)ccc1

InChI

InChI=1S/C20H18FN7OS/c21-14-3-1-4-15(11-14)28-20-18(24-25-28)19(22-13-23-20)27-8-6-26(7-9-27)17(29)12-16-5-2-10-30-16/h1-5,10-11,13H,6-9,12H2

InChI Key

DXPBWALRLBJSII-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08343772

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

423.47

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.536

Distribution Coefficient, logD

2.536

Water Solubility, LogSw

-2.66

Polar Surface Area

67.572

Acid Dissociation Constant (pKa)

22.08

Base Dissociation Constant (pKb)

2.60

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

References: we are preparing a list of scientific research reports with G866-0522 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G866-0522?
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What is the minimum amount of G866-0522 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G866-0522
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G866-0522
  • 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 G866-0522 available by request