SC19-0127 Screening compound: N-{1-[(1-ethyl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)methyl]tetrahydro-1H-pyrrol-3-yl}-4-propoxy-1-benzenesulfonamide

SC19-0127 Screening compound: N-{1-[(1-ethyl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)methyl]tetrahydro-1H-pyrrol-3-yl}-4-propoxy-1-benzenesulfonamide
SC19-0127 Screening compound: N-{1-[(1-ethyl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)methyl]tetrahydro-1H-pyrrol-3-yl}-4-propoxy-1-benzenesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SC19-0127
N-{1-[(1-ethyl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)methyl]tetrahydro-1H-pyrrol-3-yl}-4-propoxy-1-benzenesulfonamide

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

SC19-0127

Molecular Formula

C22H32N4O4S (C22 H32 N4 O4 S)

Compound Name

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

IUPAC name

N-[1-({1-ethyl-1H4H6H7H-pyrano[43-c]pyrazol-3-yl}methyl)pyrrolidin-3-yl]-4-propoxybenzene-1-sulfonamide

SMILES

CCCOc(cc1)ccc1S(NC1CN(Cc2nn(CC)c3c2COCC3)CC1)(=O)=O

InChI

InChI=1S/C22H32N4O4S/c1-3-12-30-18-5-7-19(8-6-18)31(27,28)24-17-9-11-25(14-17)15-21-20-16-29-13-10-22(20)26(4-2)23-21/h5-8,17,24H,3-4,9-16H2,1-2H3/t17-/m0/s1

InChI Key

AFDZINUOQLDUCE-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD32256869

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

448.59

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.262

Distribution Coefficient, logD

-1.384

Water Solubility, LogSw

-2.71

Polar Surface Area

76.472

Acid Dissociation Constant (pKa)

11.83

Base Dissociation Constant (pKb)

11.05

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

59.09

SC19-0127 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 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 SC19-0127 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SC19-0127?
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What is the minimum amount of SC19-0127 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SC19-0127
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SC19-0127
  • 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 SC19-0127 available by request