L712-0063 Screening compound: N-[3-(METHYLSULFANYL)PHENYL]-4-{2-[2-(TRIFLUOROMETHYL)-3H-IMIDAZO[4,5-B]PYRIDIN-3-YL]ETHYL}TETRAHYDRO-1(2H)-PYRAZINECARBOXAMIDE

L712-0063 Screening compound: N-[3-(METHYLSULFANYL)PHENYL]-4-{2-[2-(TRIFLUOROMETHYL)-3H-IMIDAZO[4,5-B]PYRIDIN-3-YL]ETHYL}TETRAHYDRO-1(2H)-PYRAZINECARBOXAMIDE
L712-0063 Screening compound: N-[3-(METHYLSULFANYL)PHENYL]-4-{2-[2-(TRIFLUOROMETHYL)-3H-IMIDAZO[4,5-B]PYRIDIN-3-YL]ETHYL}TETRAHYDRO-1(2H)-PYRAZINECARBOXAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound L712-0063
N-[3-(METHYLSULFANYL)PHENYL]-4-{2-[2-(TRIFLUOROMETHYL)-3H-IMIDAZO[4,5-B]PYRIDIN-3-YL]ETHYL}TETRAHYDRO-1(2H)-PYRAZINECARBOXAMIDE

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

L712-0063

Molecular Formula

C21H23F3N6OS (C21 H23 F3 N6 OS)

Compound Name

N-[3-(METHYLSULFANYL)PHENYL]-4-{2-[2-(TRIFLUOROMETHYL)-3H-IMIDAZO[4,5-B]PYRIDIN-3-YL]ETHYL}TETRAHYDRO-1(2H)-PYRAZINECARBOXAMIDE

IUPAC name

n/a

SMILES

CSc1cc(NC(N2CCN(CCn3c4ncccc4nc3C(F)(F)F)CC2)=O)ccc1

InChI

InChI=1S/C21H23F3N6OS/c1-32-16-5-2-4-15(14-16)26-20(31)29-11-8-28(9-12-29)10-13-30-18-17(6-3-7-25-18)27-19(30)21(22,23)24/h2-7,14H,8-13H2,1H3,(H,26,31)

InChI Key

MRGQSSIERCMJDX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15133529

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

464.51

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.185

Distribution Coefficient, logD

3.183

Water Solubility, LogSw

-3.42

Polar Surface Area

49.312

Acid Dissociation Constant (pKa)

13.84

Base Dissociation Constant (pKb)

4.91

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.10

L712-0063 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Chelators targeting matrix metalloproteinases library (8930 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Cardiovascular
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with L712-0063 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L712-0063?
Check Price and Availability of L712-0063, 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 L712-0063 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L712-0063
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L712-0063
  • 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 L712-0063 available by request