5597-0690 Screening compound: 1-[2,4,6-tris(propan-2-yl)benzenesulfonyl]pyrrolidine

5597-0690 Screening compound: 1-[2,4,6-tris(propan-2-yl)benzenesulfonyl]pyrrolidine
5597-0690 Screening compound: 1-[2,4,6-tris(propan-2-yl)benzenesulfonyl]pyrrolidine alternative view

Chemical Structure Depiction of ChemDiv screening compound 5597-0690
1-[2,4,6-tris(propan-2-yl)benzenesulfonyl]pyrrolidine

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

5597-0690

Molecular Formula

C19H31NO2S (C19 H31 NO2 S)

Compound Name

1-[2,4,6-tris(propan-2-yl)benzenesulfonyl]pyrrolidine

IUPAC name

1-[246-tris(propan-2-yl)benzenesulfonyl]pyrrolidine

SMILES

CC(C)c(cc1C(C)C)cc(C(C)C)c1S(N1CCCC1)(=O)=O

InChI

InChI=1S/C19H31NO2S/c1-13(2)16-11-17(14(3)4)19(18(12-16)15(5)6)23(21,22)20-9-7-8-10-20/h11-15H,7-10H2,1-6H3

InChI Key

OLVHTKMCICZHET-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00397364

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

337.53

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.129

Distribution Coefficient, logD

5.129

Water Solubility, LogSw

-5.02

Polar Surface Area

32.315

Acid Dissociation Constant (pKa)

22.40

Base Dissociation Constant (pKb)

-3.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

68.40

References: we are preparing a list of scientific research reports with 5597-0690 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5597-0690?
Check Price and Availability of 5597-0690, 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 5597-0690 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5597-0690
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5597-0690
  • 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 5597-0690 available by request