D399-0669 Screening compound: 1-(2,5-difluorobenzenesulfonyl)-2-(4-fluorophenyl)pyrrolidine

D399-0669 Screening compound: 1-(2,5-difluorobenzenesulfonyl)-2-(4-fluorophenyl)pyrrolidine
D399-0669 Screening compound: 1-(2,5-difluorobenzenesulfonyl)-2-(4-fluorophenyl)pyrrolidine alternative view

Chemical Structure Depiction of ChemDiv screening compound D399-0669
1-(2,5-difluorobenzenesulfonyl)-2-(4-fluorophenyl)pyrrolidine

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

D399-0669

Molecular Formula

C16H14F3NO2S (C16 H14 F3 NO2 S)

Compound Name

1-(2,5-difluorobenzenesulfonyl)-2-(4-fluorophenyl)pyrrolidine

IUPAC name

1-(25-difluorobenzenesulfonyl)-2-(4-fluorophenyl)pyrrolidine

SMILES

O=S(c(cc(cc1)F)c1F)(N(CCC1)C1c(cc1)ccc1F)=O

InChI

InChI=1S/C16H14F3NO2S/c17-12-5-3-11(4-6-12)15-2-1-9-20(15)23(21,22)16-10-13(18)7-8-14(16)19/h3-8,10,15H,1-2,9H2/t15-/m0/s1

InChI Key

OJZWFFCQXNJDNK-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD10702334

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

341.35

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.454

Distribution Coefficient, logD

3.454

Water Solubility, LogSw

-3.71

Polar Surface Area

32.515

Acid Dissociation Constant (pKa)

23.96

Base Dissociation Constant (pKb)

-6.33

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

D399-0669 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Anti-Aging Library (44940 compounds)

Macl-GPIb alpha Interaction Library (22969 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Hemic and lymphatic
  • Cardiovascular
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with D399-0669 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D399-0669?
Check Price and Availability of D399-0669, 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 D399-0669 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D399-0669
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D399-0669
  • 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 D399-0669 available by request