P217-1658F Screening compound: 4-({7-[(3-methylphenyl)sulfonyl]-9-oxa-3,7-diazabicyclo[3.3.1]non-3-yl}sulfonyl)benzonitrile

P217-1658F Screening compound: 4-({7-[(3-methylphenyl)sulfonyl]-9-oxa-3,7-diazabicyclo[3.3.1]non-3-yl}sulfonyl)benzonitrile
P217-1658F Screening compound: 4-({7-[(3-methylphenyl)sulfonyl]-9-oxa-3,7-diazabicyclo[3.3.1]non-3-yl}sulfonyl)benzonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound P217-1658F
4-({7-[(3-methylphenyl)sulfonyl]-9-oxa-3,7-diazabicyclo[3.3.1]non-3-yl}sulfonyl)benzonitrile

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

P217-1658F

Molecular Formula

C20H21N3O5S2 (C20 H21 N3 O5 S2)

Compound Name

4-({7-[(3-methylphenyl)sulfonyl]-9-oxa-3,7-diazabicyclo[3.3.1]non-3-yl}sulfonyl)benzonitrile

IUPAC name

n/a

SMILES

Cc1cccc(S(N2C[C@H](CN(C3)S(c(cc4)ccc4C#N)(=O)=O)O[C@@H]3C2)(=O)=O)c1

InChI

InChI=1S/C20H21N3O5S2/c1-15-3-2-4-20(9-15)30(26,27)23-13-17-11-22(12-18(14-23)28-17)29(24,25)19-7-5-16(10-21)6-8-19/h2-9,17-18H,11-14H2,1H3/t17-,18+

InChI Key

OMKLNKZMBNARDF-HDICACEKSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

447.54

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.081

Distribution Coefficient, logD

2.081

Water Solubility, LogSw

-2.44

Polar Surface Area

86.727

Acid Dissociation Constant (pKa)

26.45

Base Dissociation Constant (pKb)

-7.24

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

35.00

References: we are preparing a list of scientific research reports with P217-1658F chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P217-1658F?
Check Price and Availability of P217-1658F, 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 P217-1658F you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P217-1658F
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P217-1658F
  • 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 P217-1658F available by request