S397-0367 Screening compound: 1-(2,3-dimethylphenyl)-4-{1-ethyl-1H,4H,6H,7H-pyrano[4,3-c]pyrazole-3-carbonyl}piperazine

S397-0367 Screening compound: 1-(2,3-dimethylphenyl)-4-{1-ethyl-1H,4H,6H,7H-pyrano[4,3-c]pyrazole-3-carbonyl}piperazine
S397-0367 Screening compound: 1-(2,3-dimethylphenyl)-4-{1-ethyl-1H,4H,6H,7H-pyrano[4,3-c]pyrazole-3-carbonyl}piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound S397-0367
1-(2,3-dimethylphenyl)-4-{1-ethyl-1H,4H,6H,7H-pyrano[4,3-c]pyrazole-3-carbonyl}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

S397-0367

Molecular Formula

C21H28N4O2 (C21 H28 N4 O2)

Compound Name

1-(2,3-dimethylphenyl)-4-{1-ethyl-1H,4H,6H,7H-pyrano[4,3-c]pyrazole-3-carbonyl}piperazine

IUPAC name

1-(23-dimethylphenyl)-4-{1-ethyl-1H4H6H7H-pyrano[43-c]pyrazole-3-carbonyl}piperazine

SMILES

CCn1nc(C(N(CC2)CCN2c2c(C)c(C)ccc2)=O)c2c1CCOC2

InChI

InChI=1S/C21H28N4O2/c1-4-25-19-8-13-27-14-17(19)20(22-25)21(26)24-11-9-23(10-12-24)18-7-5-6-15(2)16(18)3/h5-7H,4,8-14H2,1-3H3

InChI Key

SHYHQLMASPGVNG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD32224314

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

368.48

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.594

Distribution Coefficient, logD

2.594

Water Solubility, LogSw

-2.53

Polar Surface Area

42.630

Acid Dissociation Constant (pKa)

21.75

Base Dissociation Constant (pKb)

2.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.38

References: we are preparing a list of scientific research reports with S397-0367 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S397-0367?
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What is the minimum amount of S397-0367 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S397-0367
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S397-0367
  • 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 S397-0367 available by request