3666-2879 Screening compound: 1-[(4-chloronaphthalen-1-yl)sulfonyl]azepane

3666-2879 Screening compound: 1-[(4-chloronaphthalen-1-yl)sulfonyl]azepane
3666-2879 Screening compound: 1-[(4-chloronaphthalen-1-yl)sulfonyl]azepane alternative view

Chemical Structure Depiction of ChemDiv screening compound 3666-2879
1-[(4-chloronaphthalen-1-yl)sulfonyl]azepane

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

3666-2879

Molecular Formula

C16H18ClNO2S (C16 H18 ClNO2 S)

Compound Name

1-[(4-chloronaphthalen-1-yl)sulfonyl]azepane

IUPAC name

1-[(4-chloronaphthalen-1-yl)sulfonyl]azepane

SMILES

O=S(c(c1ccccc11)ccc1Cl)(N1CCCCCC1)=O

InChI

InChI=1S/C16H18ClNO2S/c17-15-9-10-16(14-8-4-3-7-13(14)15)21(19,20)18-11-5-1-2-6-12-18/h3-4,7-10H,1-2,5-6,11-12H2

InChI Key

ZPJMXRBYDRMPTG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02173292

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

323.84

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.509

Distribution Coefficient, logD

4.509

Water Solubility, LogSw

-4.48

Polar Surface Area

32.009

Acid Dissociation Constant (pKa)

27.74

Base Dissociation Constant (pKb)

-5.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

3666-2879 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 3666-2879 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3666-2879?
Check Price and Availability of 3666-2879, 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 3666-2879 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3666-2879
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3666-2879
  • 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 3666-2879 available by request