S372-0629 Screening compound: N-(5-fluoro-2-methylphenyl)-3-{1-oxo-1H,2H,7H,8H,9H,10H-pyrazino[1,2-b]indazol-2-yl}propanamide

S372-0629 Screening compound: N-(5-fluoro-2-methylphenyl)-3-{1-oxo-1H,2H,7H,8H,9H,10H-pyrazino[1,2-b]indazol-2-yl}propanamide
S372-0629 Screening compound: N-(5-fluoro-2-methylphenyl)-3-{1-oxo-1H,2H,7H,8H,9H,10H-pyrazino[1,2-b]indazol-2-yl}propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S372-0629
N-(5-fluoro-2-methylphenyl)-3-{1-oxo-1H,2H,7H,8H,9H,10H-pyrazino[1,2-b]indazol-2-yl}propanamide

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

S372-0629

Molecular Formula

C20H21FN4O2 (C20 H21 FN4 O2)

Compound Name

N-(5-fluoro-2-methylphenyl)-3-{1-oxo-1H,2H,7H,8H,9H,10H-pyrazino[1,2-b]indazol-2-yl}propanamide

IUPAC name

N-(5-fluoro-2-methylphenyl)-3-{1-oxo-1H2H7H8H9H10H-pyrazino[12-b]indazol-2-yl}propanamide

SMILES

Cc(ccc(F)c1)c1NC(CCN(C=Cn1nc(CCCC2)c2c11)C1=O)=O

InChI

InChI=1S/C20H21FN4O2/c1-13-6-7-14(21)12-17(13)22-18(26)8-9-24-10-11-25-19(20(24)27)15-4-2-3-5-16(15)23-25/h6-7,10-12H,2-5,8-9H2,1H3,(H,22,26)

InChI Key

DGADTYBAZCLZOB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29001687

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

368.41

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.599

Distribution Coefficient, logD

1.599

Water Solubility, LogSw

-2.07

Polar Surface Area

51.869

Acid Dissociation Constant (pKa)

10.07

Base Dissociation Constant (pKb)

0.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.00

S372-0629 in Drug Discovery

Included in Screening Libraries

Ligand-Gated Ion Channels Library (3887 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Eye
  • Cancer
Targets:
  • Ion Channels
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with S372-0629 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S372-0629?
Check Price and Availability of S372-0629, 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 S372-0629 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S372-0629
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S372-0629
  • 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 S372-0629 available by request