S397-0043 Screening compound: 1-methyl-N-[2-(thiophen-2-yl)ethyl]-1H,4H,6H,7H-pyrano[4,3-c]pyrazole-3-carboxamide

S397-0043 Screening compound: 1-methyl-N-[2-(thiophen-2-yl)ethyl]-1H,4H,6H,7H-pyrano[4,3-c]pyrazole-3-carboxamide
S397-0043 Screening compound: 1-methyl-N-[2-(thiophen-2-yl)ethyl]-1H,4H,6H,7H-pyrano[4,3-c]pyrazole-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S397-0043
1-methyl-N-[2-(thiophen-2-yl)ethyl]-1H,4H,6H,7H-pyrano[4,3-c]pyrazole-3-carboxamide

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

S397-0043

Molecular Formula

C14H17N3O2S (C14 H17 N3 O2 S)

Compound Name

1-methyl-N-[2-(thiophen-2-yl)ethyl]-1H,4H,6H,7H-pyrano[4,3-c]pyrazole-3-carboxamide

IUPAC name

1-methyl-N-[2-(thiophen-2-yl)ethyl]-1H4H6H7H-pyrano[43-c]pyrazole-3-carboxamide

SMILES

Cn1nc(C(NCCc2cccs2)=O)c2c1CCOC2

InChI

InChI=1S/C14H17N3O2S/c1-17-12-5-7-19-9-11(12)13(16-17)14(18)15-6-4-10-3-2-8-20-10/h2-3,8H,4-7,9H2,1H3,(H,15,18)

InChI Key

KVVDSOOYQGGRBX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD32224203

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

291.37

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

0.757

Distribution Coefficient, logD

0.757

Water Solubility, LogSw

-2.03

Polar Surface Area

48.857

Acid Dissociation Constant (pKa)

13.66

Base Dissociation Constant (pKb)

-2.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.86

S397-0043 in Drug Discovery

Included in Screening Libraries

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 S397-0043 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S397-0043?
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What is the minimum amount of S397-0043 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S397-0043
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S397-0043
  • 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 S397-0043 available by request