2917-0016 Screening compound: 1,5-dimethyl-3,7-bis(4-methylbenzenesulfonyl)-3,7-diazabicyclo[3.3.1]nonan-9-one

2917-0016 Screening compound: 1,5-dimethyl-3,7-bis(4-methylbenzenesulfonyl)-3,7-diazabicyclo[3.3.1]nonan-9-one
2917-0016 Screening compound: 1,5-dimethyl-3,7-bis(4-methylbenzenesulfonyl)-3,7-diazabicyclo[3.3.1]nonan-9-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 2917-0016
1,5-dimethyl-3,7-bis(4-methylbenzenesulfonyl)-3,7-diazabicyclo[3.3.1]nonan-9-one

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

2917-0016

Molecular Formula

C23H28N2O5S2 (C23 H28 N2 O5 S2)

Compound Name

1,5-dimethyl-3,7-bis(4-methylbenzenesulfonyl)-3,7-diazabicyclo[3.3.1]nonan-9-one

IUPAC name

15-dimethyl-37-bis(4-methylbenzenesulfonyl)-37-diazabicyclo[3.3.1]nonan-9-one

SMILES

CC(CN(CC1(C)C2)S(c3ccc(C)cc3)(=O)=O)(CN2S(c2ccc(C)cc2)(=O)=O)C1=O

InChI

InChI=1S/C23H28N2O5S2/c1-17-5-9-19(10-6-17)31(27,28)24-13-22(3)15-25(16-23(4,14-24)21(22)26)32(29,30)20-11-7-18(2)8-12-20/h5-12H,13-16H2,1-4H3

InChI Key

AIQIVNWLEQCYCY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00330645

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

476.62

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.037

Distribution Coefficient, logD

4.037

Water Solubility, LogSw

-4.00

Polar Surface Area

76.269

Acid Dissociation Constant (pKa)

28.80

Base Dissociation Constant (pKb)

-7.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

43.50

References: we are preparing a list of scientific research reports with 2917-0016 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2917-0016?
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What is the minimum amount of 2917-0016 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2917-0016
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2917-0016
  • 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 2917-0016 available by request