5102-0186 Screening compound: 4-tert-butyl-N-[4-(pyrrolidine-1-sulfonyl)phenyl]benzamide

5102-0186 Screening compound: 4-tert-butyl-N-[4-(pyrrolidine-1-sulfonyl)phenyl]benzamide
5102-0186 Screening compound: 4-tert-butyl-N-[4-(pyrrolidine-1-sulfonyl)phenyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 5102-0186
4-tert-butyl-N-[4-(pyrrolidine-1-sulfonyl)phenyl]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

5102-0186

Molecular Formula

C21H26N2O3S (C21 H26 N2 O3 S)

Compound Name

4-tert-butyl-N-[4-(pyrrolidine-1-sulfonyl)phenyl]benzamide

IUPAC name

4-tert-butyl-N-[4-(pyrrolidine-1-sulfonyl)phenyl]benzamide

SMILES

CC(C)(C)c(cc1)ccc1C(Nc(cc1)ccc1S(N1CCCC1)(=O)=O)=O

InChI

InChI=1S/C21H26N2O3S/c1-21(2,3)17-8-6-16(7-9-17)20(24)22-18-10-12-19(13-11-18)27(25,26)23-14-4-5-15-23/h6-13H,4-5,14-15H2,1-3H3,(H,22,24)

InChI Key

QPDFEULGXOWSLL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03168173

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

386.52

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.582

Distribution Coefficient, logD

4.559

Water Solubility, LogSw

-4.17

Polar Surface Area

55.407

Acid Dissociation Constant (pKa)

8.67

Base Dissociation Constant (pKb)

-3.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.10

References: we are preparing a list of scientific research reports with 5102-0186 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5102-0186?
Check Price and Availability of 5102-0186, 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 5102-0186 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5102-0186
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5102-0186
  • 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 5102-0186 available by request