S397-0575 Screening compound: N-cyclobutyl-1-(propan-2-yl)-1H,4H,6H,7H-pyrano[4,3-c]pyrazole-3-carboxamide

S397-0575 Screening compound: N-cyclobutyl-1-(propan-2-yl)-1H,4H,6H,7H-pyrano[4,3-c]pyrazole-3-carboxamide
S397-0575 Screening compound: N-cyclobutyl-1-(propan-2-yl)-1H,4H,6H,7H-pyrano[4,3-c]pyrazole-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S397-0575
N-cyclobutyl-1-(propan-2-yl)-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

S397-0575

Molecular Formula

C14H21N3O2 (C14 H21 N3 O2)

Compound Name

N-cyclobutyl-1-(propan-2-yl)-1H,4H,6H,7H-pyrano[4,3-c]pyrazole-3-carboxamide

IUPAC name

N-cyclobutyl-1-(propan-2-yl)-1H4H6H7H-pyrano[43-c]pyrazole-3-carboxamide

SMILES

CC(C)n1nc(C(NC2CCC2)=O)c2c1CCOC2

InChI

InChI=1S/C14H21N3O2/c1-9(2)17-12-6-7-19-8-11(12)13(16-17)14(18)15-10-4-3-5-10/h9-10H,3-8H2,1-2H3,(H,15,18)

InChI Key

DXFFMFFQAPKOLT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD32224505

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

263.34

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.036

Distribution Coefficient, logD

1.036

Water Solubility, LogSw

-1.41

Polar Surface Area

48.235

Acid Dissociation Constant (pKa)

14.88

Base Dissociation Constant (pKb)

-1.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

71.43

S397-0575 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

CNS MPO Library (28609 compounds)

Soluble Diversity Library (15920 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with S397-0575 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S397-0575?
Check Price and Availability of S397-0575, 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 S397-0575 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S397-0575
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S397-0575
  • 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 S397-0575 available by request