SC02-0693 Screening compound: N-[3-(2-methoxyethyl)-1-(8-quinolylsulfonyl)tetrahydro-1H-pyrrol-3-yl]methanesulfonamide

SC02-0693 Screening compound: N-[3-(2-methoxyethyl)-1-(8-quinolylsulfonyl)tetrahydro-1H-pyrrol-3-yl]methanesulfonamide
SC02-0693 Screening compound: N-[3-(2-methoxyethyl)-1-(8-quinolylsulfonyl)tetrahydro-1H-pyrrol-3-yl]methanesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SC02-0693
N-[3-(2-methoxyethyl)-1-(8-quinolylsulfonyl)tetrahydro-1H-pyrrol-3-yl]methanesulfonamide

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

SC02-0693

Molecular Formula

C17H23N3O5S2 (C17 H23 N3 O5 S2)

Compound Name

N-[3-(2-methoxyethyl)-1-(8-quinolylsulfonyl)tetrahydro-1H-pyrrol-3-yl]methanesulfonamide

IUPAC name

N-[3-(2-methoxyethyl)-1-(quinoline-8-sulfonyl)pyrrolidin-3-yl]methanesulfonamide

SMILES

COCCC(CC1)(CN1S(c1cccc2cccnc12)(=O)=O)NS(C)(=O)=O

InChI

InChI=1S/C17H23N3O5S2/c1-25-12-9-17(19-26(2,21)22)8-11-20(13-17)27(23,24)15-7-3-5-14-6-4-10-18-16(14)15/h3-7,10,19H,8-9,11-13H2,1-2H3/t17-/m1/s1

InChI Key

MWQSSZIMNUMVLS-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD32252658

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

413.52

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.518

Distribution Coefficient, logD

0.518

Water Solubility, LogSw

-2.31

Polar Surface Area

93.164

Acid Dissociation Constant (pKa)

11.60

Base Dissociation Constant (pKb)

-0.90

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

47.06

SC02-0693 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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 SC02-0693 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SC02-0693?
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What is the minimum amount of SC02-0693 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SC02-0693
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SC02-0693
  • 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 SC02-0693 available by request