SC19-0086 Screening compound: N-{1-[(1-ethyl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)methyl]tetrahydro-1H-pyrrol-3-yl}-1-phenyl-1-cyclopropanecarboxamide

SC19-0086 Screening compound: N-{1-[(1-ethyl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)methyl]tetrahydro-1H-pyrrol-3-yl}-1-phenyl-1-cyclopropanecarboxamide
SC19-0086 Screening compound: N-{1-[(1-ethyl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)methyl]tetrahydro-1H-pyrrol-3-yl}-1-phenyl-1-cyclopropanecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SC19-0086
N-{1-[(1-ethyl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)methyl]tetrahydro-1H-pyrrol-3-yl}-1-phenyl-1-cyclopropanecarboxamide

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

SC19-0086

Molecular Formula

C23H30N4O2 (C23 H30 N4 O2)

Compound Name

N-{1-[(1-ethyl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)methyl]tetrahydro-1H-pyrrol-3-yl}-1-phenyl-1-cyclopropanecarboxamide

IUPAC name

N-[1-({1-ethyl-1H4H6H7H-pyrano[43-c]pyrazol-3-yl}methyl)pyrrolidin-3-yl]-1-phenylcyclopropane-1-carboxamide

SMILES

CCn1nc(CN(CC2)CC2NC(C2(CC2)c2ccccc2)=O)c2c1CCOC2

InChI

InChI=1S/C23H30N4O2/c1-2-27-21-9-13-29-16-19(21)20(25-27)15-26-12-8-18(14-26)24-22(28)23(10-11-23)17-6-4-3-5-7-17/h3-7,18H,2,8-16H2,1H3,(H,24,28)/t18-/m0/s1

InChI Key

SNJXBSVFMUAFPV-SFHVURJKSA-N

MDL Number (MFCD)

MFCD32256748

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

394.52

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.422

Distribution Coefficient, logD

-4.351

Water Solubility, LogSw

-2.20

Polar Surface Area

51.747

Acid Dissociation Constant (pKa)

14.41

Base Dissociation Constant (pKb)

13.17

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

56.52

SC19-0086 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

CNS BBB Library (22607 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with SC19-0086 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SC19-0086?
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What is the minimum amount of SC19-0086 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SC19-0086
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SC19-0086
  • 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 SC19-0086 available by request