S786-0247 Screening compound: 5-(3-fluorobenzenesulfonyl)-9-(hydroxymethyl)-1,5-diazacycloundecan-2-one

S786-0247 Screening compound: 5-(3-fluorobenzenesulfonyl)-9-(hydroxymethyl)-1,5-diazacycloundecan-2-one
S786-0247 Screening compound: 5-(3-fluorobenzenesulfonyl)-9-(hydroxymethyl)-1,5-diazacycloundecan-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S786-0247
5-(3-fluorobenzenesulfonyl)-9-(hydroxymethyl)-1,5-diazacycloundecan-2-one

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

S786-0247

Molecular Formula

C16H23FN2O4S (C16 H23 FN2 O4 S)

Compound Name

5-(3-fluorobenzenesulfonyl)-9-(hydroxymethyl)-1,5-diazacycloundecan-2-one

IUPAC name

5-(3-fluorobenzenesulfonyl)-9-(hydroxymethyl)-15-diazacycloundecan-2-one

SMILES

OCC(CCCN(CC1)S(c2cc(F)ccc2)(=O)=O)CCNC1=O

InChI

InChI=1S/C16H23FN2O4S/c17-14-4-1-5-15(11-14)24(22,23)19-9-2-3-13(12-20)6-8-18-16(21)7-10-19/h1,4-5,11,13,20H,2-3,6-10,12H2,(H,18,21)/t13-/m0/s1

InChI Key

HENBLGDMKMHTRA-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD30463959

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

358.43

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.981

Distribution Coefficient, logD

0.981

Water Solubility, LogSw

-2.36

Polar Surface Area

74.419

Acid Dissociation Constant (pKa)

13.58

Base Dissociation Constant (pKb)

-0.28

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

56.25

S786-0247 in Drug Discovery

Included in Screening Libraries

Macrocycles Library (2450 compounds)

Protein-Protein Interaction Library (218420 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • Mimetics

References: we are preparing a list of scientific research reports with S786-0247 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S786-0247?
Check Price and Availability of S786-0247, 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 S786-0247 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S786-0247
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S786-0247
  • 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 S786-0247 available by request