8017-4553 Screening compound: N-[2-(adamantan-1-yloxy)ethyl]-4-tert-butyl-N-methylbenzene-1-sulfonamide

8017-4553 Screening compound: N-[2-(adamantan-1-yloxy)ethyl]-4-tert-butyl-N-methylbenzene-1-sulfonamide
8017-4553 Screening compound: N-[2-(adamantan-1-yloxy)ethyl]-4-tert-butyl-N-methylbenzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-4553
N-[2-(adamantan-1-yloxy)ethyl]-4-tert-butyl-N-methylbenzene-1-sulfonamide

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

8017-4553

Molecular Formula

C23H35NO3S (C23 H35 NO3 S)

Compound Name

N-[2-(adamantan-1-yloxy)ethyl]-4-tert-butyl-N-methylbenzene-1-sulfonamide

IUPAC name

N-[2-(adamantan-1-yloxy)ethyl]-4-tert-butyl-N-methylbenzene-1-sulfonamide

SMILES

CC(C)(C)c(cc1)ccc1S(N(C)CCOC1(CC(C2)C3)CC3CC2C1)(=O)=O

InChI

InChI=1S/C23H35NO3S/c1-22(2,3)20-5-7-21(8-6-20)28(25,26)24(4)9-10-27-23-14-17-11-18(15-23)13-19(12-17)16-23/h5-8,17-19H,9-16H2,1-4H3

InChI Key

YCHUBQOZQXPULI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06016983

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

405.6

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.135

Distribution Coefficient, logD

6.135

Water Solubility, LogSw

-5.69

Polar Surface Area

39.042

Acid Dissociation Constant (pKa)

26.12

Base Dissociation Constant (pKb)

-5.65

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

73.90

8017-4553 in Drug Discovery

Included in Screening Libraries

GABA Library (7115 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Eye
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 8017-4553 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-4553?
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What is the minimum amount of 8017-4553 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-4553
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-4553
  • 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 8017-4553 available by request