S397-0477 Screening compound: N-[(1,3-dimethyl-1H-pyrazol-5-yl)methyl]-1-ethyl-1H,4H,6H,7H-pyrano[4,3-c]pyrazole-3-carboxamide

S397-0477 Screening compound: N-[(1,3-dimethyl-1H-pyrazol-5-yl)methyl]-1-ethyl-1H,4H,6H,7H-pyrano[4,3-c]pyrazole-3-carboxamide
S397-0477 Screening compound: N-[(1,3-dimethyl-1H-pyrazol-5-yl)methyl]-1-ethyl-1H,4H,6H,7H-pyrano[4,3-c]pyrazole-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S397-0477
N-[(1,3-dimethyl-1H-pyrazol-5-yl)methyl]-1-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

S397-0477

Molecular Formula

C15H21N5O2 (C15 H21 N5 O2)

Compound Name

N-[(1,3-dimethyl-1H-pyrazol-5-yl)methyl]-1-ethyl-1H,4H,6H,7H-pyrano[4,3-c]pyrazole-3-carboxamide

IUPAC name

N-[(13-dimethyl-1H-pyrazol-5-yl)methyl]-1-ethyl-1H4H6H7H-pyrano[43-c]pyrazole-3-carboxamide

SMILES

CCn1nc(C(NCc2cc(C)nn2C)=O)c2c1CCOC2

InChI

InChI=1S/C15H21N5O2/c1-4-20-13-5-6-22-9-12(13)14(18-20)15(21)16-8-11-7-10(2)17-19(11)3/h7H,4-6,8-9H2,1-3H3,(H,16,21)

InChI Key

IZBMGMONSOCFCV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD32224386

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

303.36

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

-0.216

Distribution Coefficient, logD

-0.216

Water Solubility, LogSw

-1.28

Polar Surface Area

61.239

Acid Dissociation Constant (pKa)

12.85

Base Dissociation Constant (pKb)

0.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

53.33

S397-0477 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 compounds)

Soluble Diversity Library (15920 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with S397-0477 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S397-0477?
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What is the minimum amount of S397-0477 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S397-0477
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S397-0477
  • 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 S397-0477 available by request