SD22-0220 Screening compound: N~1~-[3-(1-methoxycyclopropyl)-1-(8-quinolylsulfonyl)-3-azetanyl]benzamide

SD22-0220 Screening compound: N~1~-[3-(1-methoxycyclopropyl)-1-(8-quinolylsulfonyl)-3-azetanyl]benzamide
SD22-0220 Screening compound: N~1~-[3-(1-methoxycyclopropyl)-1-(8-quinolylsulfonyl)-3-azetanyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SD22-0220
N~1~-[3-(1-methoxycyclopropyl)-1-(8-quinolylsulfonyl)-3-azetanyl]benzamide

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

SD22-0220

Molecular Formula

C23H23N3O4S (C23 H23 N3 O4 S)

Compound Name

N~1~-[3-(1-methoxycyclopropyl)-1-(8-quinolylsulfonyl)-3-azetanyl]benzamide

IUPAC name

N-[3-(1-methoxycyclopropyl)-1-(quinoline-8-sulfonyl)azetidin-3-yl]benzamide

SMILES

COC1(CC1)C(C1)(CN1S(c1cccc2cccnc12)(=O)=O)NC(c1ccccc1)=O

InChI

InChI=1S/C23H23N3O4S/c1-30-23(12-13-23)22(25-21(27)18-7-3-2-4-8-18)15-26(16-22)31(28,29)19-11-5-9-17-10-6-14-24-20(17)19/h2-11,14H,12-13,15-16H2,1H3,(H,25,27)

InChI Key

RTHHSIJBUJWOSZ-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

437.52

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.130

Distribution Coefficient, logD

2.130

Water Solubility, LogSw

-2.63

Polar Surface Area

72.392

Acid Dissociation Constant (pKa)

13.90

Base Dissociation Constant (pKb)

-0.66

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.43

SD22-0220 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with SD22-0220 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SD22-0220?
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What is the minimum amount of SD22-0220 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SD22-0220
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SD22-0220
  • 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 SD22-0220 available by request