3379-0230 Screening compound: 3,7-bis(4-methylbenzenesulfonyl)-1,5-bis(propan-2-yl)-3,7-diazabicyclo[3.3.1]nonan-9-one

3379-0230 Screening compound: 3,7-bis(4-methylbenzenesulfonyl)-1,5-bis(propan-2-yl)-3,7-diazabicyclo[3.3.1]nonan-9-one
3379-0230 Screening compound: 3,7-bis(4-methylbenzenesulfonyl)-1,5-bis(propan-2-yl)-3,7-diazabicyclo[3.3.1]nonan-9-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 3379-0230
3,7-bis(4-methylbenzenesulfonyl)-1,5-bis(propan-2-yl)-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

3379-0230

Molecular Formula

C27H36N2O5S2 (C27 H36 N2 O5 S2)

Compound Name

3,7-bis(4-methylbenzenesulfonyl)-1,5-bis(propan-2-yl)-3,7-diazabicyclo[3.3.1]nonan-9-one

IUPAC name

37-bis(4-methylbenzenesulfonyl)-15-bis(propan-2-yl)-37-diazabicyclo[3.3.1]nonan-9-one

SMILES

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

InChI

InChI=1S/C27H36N2O5S2/c1-19(2)26-15-28(35(31,32)23-11-7-21(5)8-12-23)17-27(20(3)4,25(26)30)18-29(16-26)36(33,34)24-13-9-22(6)10-14-24/h7-14,19-20H,15-18H2,1-6H3

InChI Key

GUKGDQDPQGXNJZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01996134

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

532.73

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.448

Distribution Coefficient, logD

5.448

Water Solubility, LogSw

-5.33

Polar Surface Area

76.269

Acid Dissociation Constant (pKa)

26.84

Base Dissociation Constant (pKb)

-7.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

51.90

References: we are preparing a list of scientific research reports with 3379-0230 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3379-0230?
Check Price and Availability of 3379-0230, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 3379-0230 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3379-0230
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3379-0230
  • 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 3379-0230 available by request