S373-1243 Screening compound: (2E)-3-(furan-2-yl)-1-(4-{7H,8H,9H,10H-pyrazino[1,2-b]indazol-1-yl}piperazin-1-yl)prop-2-en-1-one

S373-1243 Screening compound: (2E)-3-(furan-2-yl)-1-(4-{7H,8H,9H,10H-pyrazino[1,2-b]indazol-1-yl}piperazin-1-yl)prop-2-en-1-one
S373-1243 Screening compound: (2E)-3-(furan-2-yl)-1-(4-{7H,8H,9H,10H-pyrazino[1,2-b]indazol-1-yl}piperazin-1-yl)prop-2-en-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S373-1243
(2E)-3-(furan-2-yl)-1-(4-{7H,8H,9H,10H-pyrazino[1,2-b]indazol-1-yl}piperazin-1-yl)prop-2-en-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

S373-1243

Molecular Formula

C21H23N5O2 (C21 H23 N5 O2)

Compound Name

(2E)-3-(furan-2-yl)-1-(4-{7H,8H,9H,10H-pyrazino[1,2-b]indazol-1-yl}piperazin-1-yl)prop-2-en-1-one

IUPAC name

(2E)-3-(furan-2-yl)-1-(4-{7H8H9H10H-pyrazino[12-b]indazol-1-yl}piperazin-1-yl)prop-2-en-1-one

SMILES

O=C(/C=C/c1ccco1)N(CC1)CCN1c1nccn2nc(CCCC3)c3c12

InChI

InChI=1S/C21H23N5O2/c27-19(8-7-16-4-3-15-28-16)24-11-13-25(14-12-24)21-20-17-5-1-2-6-18(17)23-26(20)10-9-22-21/h3-4,7-10,15H,1-2,5-6,11-14H2

InChI Key

MHCYPRFQKRWDMA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29001782

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

377.45

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.713

Distribution Coefficient, logD

1.713

Water Solubility, LogSw

-1.64

Polar Surface Area

48.353

Acid Dissociation Constant (pKa)

21.04

Base Dissociation Constant (pKb)

4.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.10

S373-1243 in Drug Discovery

Included in Screening Libraries

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

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with S373-1243 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S373-1243?
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What is the minimum amount of S373-1243 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S373-1243
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S373-1243
  • 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 S373-1243 available by request