S373-1336 Screening compound: 1-[4-(9-methyl-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-yl)piperazino]-2-(3-thienyl)-1-ethanone

S373-1336 Screening compound: 1-[4-(9-methyl-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-yl)piperazino]-2-(3-thienyl)-1-ethanone
S373-1336 Screening compound: 1-[4-(9-methyl-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-yl)piperazino]-2-(3-thienyl)-1-ethanone alternative view

Chemical Structure Depiction of ChemDiv screening compound S373-1336
1-[4-(9-methyl-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-yl)piperazino]-2-(3-thienyl)-1-ethanone

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

S373-1336

Molecular Formula

C21H25N5OS (C21 H25 N5 OS)

Compound Name

1-[4-(9-methyl-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-yl)piperazino]-2-(3-thienyl)-1-ethanone

IUPAC name

n/a

SMILES

CC1Cc2c(c(N(CC3)CCN3C(Cc3cscc3)=O)ncc3)n3nc2CC1

InChI

InChI=1S/C21H25N5OS/c1-15-2-3-18-17(12-15)20-21(22-5-6-26(20)23-18)25-9-7-24(8-10-25)19(27)13-16-4-11-28-14-16/h4-6,11,14-15H,2-3,7-10,12-13H2,1H3/t15-/m1/s1

InChI Key

BSVOEAJXXZIFTI-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD29001765

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

395.53

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.268

Distribution Coefficient, logD

2.268

Water Solubility, LogSw

-2.46

Polar Surface Area

41.623

Acid Dissociation Constant (pKa)

19.07

Base Dissociation Constant (pKb)

3.64

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

47.60

S373-1336 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S373-1336 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S373-1336?
Check Price and Availability of S373-1336, 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 S373-1336 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S373-1336
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S373-1336
  • 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 S373-1336 available by request