S397-0782 Screening compound: 1-[1-(2-methoxyethyl)-1H,4H,6H,7H-pyrano[4,3-c]pyrazole-3-carbonyl]-4-(thiophene-2-sulfonyl)piperazine

S397-0782 Screening compound: 1-[1-(2-methoxyethyl)-1H,4H,6H,7H-pyrano[4,3-c]pyrazole-3-carbonyl]-4-(thiophene-2-sulfonyl)piperazine
S397-0782 Screening compound: 1-[1-(2-methoxyethyl)-1H,4H,6H,7H-pyrano[4,3-c]pyrazole-3-carbonyl]-4-(thiophene-2-sulfonyl)piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound S397-0782
1-[1-(2-methoxyethyl)-1H,4H,6H,7H-pyrano[4,3-c]pyrazole-3-carbonyl]-4-(thiophene-2-sulfonyl)piperazine

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

S397-0782

Molecular Formula

C18H24N4O5S2 (C18 H24 N4 O5 S2)

Compound Name

1-[1-(2-methoxyethyl)-1H,4H,6H,7H-pyrano[4,3-c]pyrazole-3-carbonyl]-4-(thiophene-2-sulfonyl)piperazine

IUPAC name

1-[1-(2-methoxyethyl)-1H4H6H7H-pyrano[43-c]pyrazole-3-carbonyl]-4-(thiophene-2-sulfonyl)piperazine

SMILES

COCCn1nc(C(N(CC2)CCN2S(c2cccs2)(=O)=O)=O)c2c1CCOC2

InChI

InChI=1S/C18H24N4O5S2/c1-26-11-9-22-15-4-10-27-13-14(15)17(19-22)18(23)20-5-7-21(8-6-20)29(24,25)16-3-2-12-28-16/h2-3,12H,4-11,13H2,1H3

InChI Key

YUAFPNHYHDTZRB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD32224344

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

440.54

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.086

Distribution Coefficient, logD

0.086

Water Solubility, LogSw

-1.97

Polar Surface Area

80.804

Acid Dissociation Constant (pKa)

21.75

Base Dissociation Constant (pKb)

-3.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

55.56

S397-0782 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

CNS MPO Library (28609 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with S397-0782 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S397-0782?
Check Price and Availability of S397-0782, 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 S397-0782 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S397-0782
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S397-0782
  • 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 S397-0782 available by request