5102-0183 Screening compound: N-[4-(azepane-1-sulfonyl)phenyl]-4-tert-butylbenzamide

5102-0183 Screening compound: N-[4-(azepane-1-sulfonyl)phenyl]-4-tert-butylbenzamide
5102-0183 Screening compound: N-[4-(azepane-1-sulfonyl)phenyl]-4-tert-butylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 5102-0183
N-[4-(azepane-1-sulfonyl)phenyl]-4-tert-butylbenzamide

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

5102-0183

Molecular Formula

C23H30N2O3S (C23 H30 N2 O3 S)

Compound Name

N-[4-(azepane-1-sulfonyl)phenyl]-4-tert-butylbenzamide

IUPAC name

N-[4-(azepane-1-sulfonyl)phenyl]-4-tert-butylbenzamide

SMILES

CC(C)(C)c(cc1)ccc1C(Nc(cc1)ccc1S(N1CCCCCC1)(=O)=O)=O

InChI

InChI=1S/C23H30N2O3S/c1-23(2,3)19-10-8-18(9-11-19)22(26)24-20-12-14-21(15-13-20)29(27,28)25-16-6-4-5-7-17-25/h8-15H,4-7,16-17H2,1-3H3,(H,24,26)

InChI Key

ITAIEBPNKLFFSS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03168171

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

414.57

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

5.409

Distribution Coefficient, logD

5.386

Water Solubility, LogSw

-5.19

Polar Surface Area

55.372

Acid Dissociation Constant (pKa)

8.67

Base Dissociation Constant (pKb)

-3.98

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

43.50

References: we are preparing a list of scientific research reports with 5102-0183 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5102-0183?
Check Price and Availability of 5102-0183, 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 5102-0183 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5102-0183
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5102-0183
  • 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 5102-0183 available by request