D399-0666 Screening compound: 4-{[2-(4-fluorophenyl)pyrrolidin-1-yl]sulfonyl}-3,5-dimethyl-1,2-oxazole

D399-0666 Screening compound: 4-{[2-(4-fluorophenyl)pyrrolidin-1-yl]sulfonyl}-3,5-dimethyl-1,2-oxazole
D399-0666 Screening compound: 4-{[2-(4-fluorophenyl)pyrrolidin-1-yl]sulfonyl}-3,5-dimethyl-1,2-oxazole alternative view

Chemical Structure Depiction of ChemDiv screening compound D399-0666
4-{[2-(4-fluorophenyl)pyrrolidin-1-yl]sulfonyl}-3,5-dimethyl-1,2-oxazole

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

D399-0666

Molecular Formula

C15H17FN2O3S (C15 H17 FN2 O3 S)

Compound Name

4-{[2-(4-fluorophenyl)pyrrolidin-1-yl]sulfonyl}-3,5-dimethyl-1,2-oxazole

IUPAC name

4-{[2-(4-fluorophenyl)pyrrolidin-1-yl]sulfonyl}-35-dimethyl-12-oxazole

SMILES

Cc1noc(C)c1S(N(CCC1)C1c(cc1)ccc1F)(=O)=O

InChI

InChI=1S/C15H17FN2O3S/c1-10-15(11(2)21-17-10)22(19,20)18-9-3-4-14(18)12-5-7-13(16)8-6-12/h5-8,14H,3-4,9H2,1-2H3/t14-/m0/s1

InChI Key

UTFVDMMPDGPELU-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD10702549

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

324.38

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.080

Distribution Coefficient, logD

2.080

Water Solubility, LogSw

-2.43

Polar Surface Area

54.553

Acid Dissociation Constant (pKa)

24.75

Base Dissociation Constant (pKb)

-4.10

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.00

D399-0666 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Antiparasite Library (23996 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro
  • Agro

References: we are preparing a list of scientific research reports with D399-0666 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D399-0666?
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What is the minimum amount of D399-0666 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D399-0666
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D399-0666
  • 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 D399-0666 available by request