S397-0302 Screening compound: 1-(cyclopropylmethyl)-N-[3-(1,2,3,4-tetrahydroquinolin-1-yl)propyl]-1H,4H,6H,7H-pyrano[4,3-c]pyrazole-3-carboxamide

S397-0302 Screening compound: 1-(cyclopropylmethyl)-N-[3-(1,2,3,4-tetrahydroquinolin-1-yl)propyl]-1H,4H,6H,7H-pyrano[4,3-c]pyrazole-3-carboxamide
S397-0302 Screening compound: 1-(cyclopropylmethyl)-N-[3-(1,2,3,4-tetrahydroquinolin-1-yl)propyl]-1H,4H,6H,7H-pyrano[4,3-c]pyrazole-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S397-0302
1-(cyclopropylmethyl)-N-[3-(1,2,3,4-tetrahydroquinolin-1-yl)propyl]-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

S397-0302

Molecular Formula

C23H30N4O2 (C23 H30 N4 O2)

Compound Name

1-(cyclopropylmethyl)-N-[3-(1,2,3,4-tetrahydroquinolin-1-yl)propyl]-1H,4H,6H,7H-pyrano[4,3-c]pyrazole-3-carboxamide

IUPAC name

1-(cyclopropylmethyl)-N-[3-(1234-tetrahydroquinolin-1-yl)propyl]-1H4H6H7H-pyrano[43-c]pyrazole-3-carboxamide

SMILES

O=C(c1nn(CC2CC2)c2c1COCC2)NCCCN(CCC1)c2c1cccc2

InChI

InChI=1S/C23H30N4O2/c28-23(22-19-16-29-14-10-21(19)27(25-22)15-17-8-9-17)24-11-4-13-26-12-3-6-18-5-1-2-7-20(18)26/h1-2,5,7,17H,3-4,6,8-16H2,(H,24,28)

InChI Key

QXRHWXCOFQBELU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD32224227

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

394.52

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.633

Distribution Coefficient, logD

2.583

Water Solubility, LogSw

-2.95

Polar Surface Area

50.616

Acid Dissociation Constant (pKa)

14.09

Base Dissociation Constant (pKb)

7.72

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

56.52

S397-0302 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with S397-0302 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S397-0302?
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What is the minimum amount of S397-0302 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S397-0302
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S397-0302
  • 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 S397-0302 available by request