8012-5873 Screening compound: 1-({5-[(2,3-dimethylpiperidin-1-yl)sulfonyl]naphthalen-1-yl}sulfonyl)-2,3-dimethylpiperidine

8012-5873 Screening compound: 1-({5-[(2,3-dimethylpiperidin-1-yl)sulfonyl]naphthalen-1-yl}sulfonyl)-2,3-dimethylpiperidine
8012-5873 Screening compound: 1-({5-[(2,3-dimethylpiperidin-1-yl)sulfonyl]naphthalen-1-yl}sulfonyl)-2,3-dimethylpiperidine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-5873
1-({5-[(2,3-dimethylpiperidin-1-yl)sulfonyl]naphthalen-1-yl}sulfonyl)-2,3-dimethylpiperidine

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

8012-5873

Molecular Formula

C24H34N2O4S2 (C24 H34 N2 O4 S2)

Compound Name

1-({5-[(2,3-dimethylpiperidin-1-yl)sulfonyl]naphthalen-1-yl}sulfonyl)-2,3-dimethylpiperidine

IUPAC name

1-({5-[(23-dimethylpiperidin-1-yl)sulfonyl]naphthalen-1-yl}sulfonyl)-23-dimethylpiperidine

SMILES

CC(CCC1)C(C)N1S(c1c(cccc2S(N3C(C)C(C)CCC3)(=O)=O)c2ccc1)(=O)=O

InChI

InChI=1S/C24H34N2O4S2/c1-17-9-7-15-25(19(17)3)31(27,28)23-13-5-12-22-21(23)11-6-14-24(22)32(29,30)26-16-8-10-18(2)20(26)4/h5-6,11-14,17-20H,7-10,15-16H2,1-4H3

InChI Key

PADXEBZWMAZOEB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00716778

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

478.68

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.536

Distribution Coefficient, logD

4.536

Water Solubility, LogSw

-4.23

Polar Surface Area

63.160

Acid Dissociation Constant (pKa)

26.03

Base Dissociation Constant (pKb)

-4.73

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

58.30

8012-5873 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 8012-5873 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-5873?
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What is the minimum amount of 8012-5873 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-5873
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-5873
  • 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 8012-5873 available by request