SC19-0555 Screening compound: 1-ethyl-3-{[4-(5,6,7,8-tetrahydro-2-naphthalenylsulfonyl)piperazino]methyl}-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole

SC19-0555 Screening compound: 1-ethyl-3-{[4-(5,6,7,8-tetrahydro-2-naphthalenylsulfonyl)piperazino]methyl}-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole
SC19-0555 Screening compound: 1-ethyl-3-{[4-(5,6,7,8-tetrahydro-2-naphthalenylsulfonyl)piperazino]methyl}-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole alternative view

Chemical Structure Depiction of ChemDiv screening compound SC19-0555
1-ethyl-3-{[4-(5,6,7,8-tetrahydro-2-naphthalenylsulfonyl)piperazino]methyl}-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole

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

SC19-0555

Molecular Formula

C23H32N4O3S (C23 H32 N4 O3 S)

Compound Name

1-ethyl-3-{[4-(5,6,7,8-tetrahydro-2-naphthalenylsulfonyl)piperazino]methyl}-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole

IUPAC name

1-({1-ethyl-1H4H6H7H-pyrano[43-c]pyrazol-3-yl}methyl)-4-(5678-tetrahydronaphthalene-2-sulfonyl)piperazine

SMILES

CCn1nc(CN(CC2)CCN2S(c2cc(CCCC3)c3cc2)(=O)=O)c2c1CCOC2

InChI

InChI=1S/C23H32N4O3S/c1-2-27-23-9-14-30-17-21(23)22(24-27)16-25-10-12-26(13-11-25)31(28,29)20-8-7-18-5-3-4-6-19(18)15-20/h7-8,15H,2-6,9-14,16-17H2,1H3

InChI Key

HIMVNXDNIYZACL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD32256640

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

444.6

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.448

Distribution Coefficient, logD

0.181

Water Solubility, LogSw

-2.65

Polar Surface Area

58.689

Acid Dissociation Constant (pKa)

22.92

Base Dissociation Constant (pKb)

9.66

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

60.87

SC19-0555 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with SC19-0555 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SC19-0555?
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What is the minimum amount of SC19-0555 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SC19-0555
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SC19-0555
  • 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 SC19-0555 available by request