C259-0407 Screening compound: 4-{[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]sulfonyl}-2,1,3-benzoxadiazole

C259-0407 Screening compound: 4-{[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]sulfonyl}-2,1,3-benzoxadiazole
C259-0407 Screening compound: 4-{[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]sulfonyl}-2,1,3-benzoxadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound C259-0407
4-{[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]sulfonyl}-2,1,3-benzoxadiazole

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

C259-0407

Molecular Formula

C16H20N4O4S (C16 H20 N4 O4 S)

Compound Name

4-{[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]sulfonyl}-2,1,3-benzoxadiazole

IUPAC name

4-{[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]sulfonyl}-213-benzoxadiazole

SMILES

O=C(C(CC1)CCN1S(c1cccc2nonc12)(=O)=O)N1CCCC1

InChI

InChI=1S/C16H20N4O4S/c21-16(19-8-1-2-9-19)12-6-10-20(11-7-12)25(22,23)14-5-3-4-13-15(14)18-24-17-13/h3-5,12H,1-2,6-11H2

InChI Key

DUDRJNPITRNKLN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14737055

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

364.43

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.076

Distribution Coefficient, logD

2.076

Water Solubility, LogSw

-2.28

Polar Surface Area

85.053

Acid Dissociation Constant (pKa)

23.63

Base Dissociation Constant (pKb)

-1.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

56.30

C259-0407 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C259-0407 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C259-0407?
Check Price and Availability of C259-0407, 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 C259-0407 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C259-0407
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C259-0407
  • 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 C259-0407 available by request