S373-1317 Screening compound: [4-(9-methyl-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-yl)piperazino](5-methyl-2-thienyl)methanone

S373-1317 Screening compound: [4-(9-methyl-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-yl)piperazino](5-methyl-2-thienyl)methanone
S373-1317 Screening compound: [4-(9-methyl-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-yl)piperazino](5-methyl-2-thienyl)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound S373-1317
[4-(9-methyl-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-yl)piperazino](5-methyl-2-thienyl)methanone

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

S373-1317

Molecular Formula

C21H25N5OS (C21 H25 N5 OS)

Compound Name

[4-(9-methyl-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-yl)piperazino](5-methyl-2-thienyl)methanone

IUPAC name

1-{9-methyl-7H8H9H10H-pyrazino[12-b]indazol-1-yl}-4-(5-methylthiophene-2-carbonyl)piperazine

SMILES

CC1Cc2c(c(N(CC3)CCN3C(c3ccc(C)s3)=O)ncc3)n3nc2CC1

InChI

InChI=1S/C21H25N5OS/c1-14-3-5-17-16(13-14)19-20(22-7-8-26(19)23-17)24-9-11-25(12-10-24)21(27)18-6-4-15(2)28-18/h4,6-8,14H,3,5,9-13H2,1-2H3/t14-/m1/s1

InChI Key

YXWGFFIJRYVWLH-CQSZACIVSA-N

MDL Number (MFCD)

MFCD29001764

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

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.010

Distribution Coefficient, logD

3.010

Water Solubility, LogSw

-3.22

Polar Surface Area

42.150

Acid Dissociation Constant (pKa)

21.40

Base Dissociation Constant (pKb)

3.64

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

47.62

S373-1317 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

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

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Agro:
  • Agro
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with S373-1317 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S373-1317?
Check Price and Availability of S373-1317, 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 S373-1317 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S373-1317
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S373-1317
  • 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 S373-1317 available by request