D399-0274 Screening compound: 3,5-dimethyl-4-{[2-(2-methylphenyl)pyrrolidin-1-yl]sulfonyl}-1,2-oxazole

D399-0274 Screening compound: 3,5-dimethyl-4-{[2-(2-methylphenyl)pyrrolidin-1-yl]sulfonyl}-1,2-oxazole
D399-0274 Screening compound: 3,5-dimethyl-4-{[2-(2-methylphenyl)pyrrolidin-1-yl]sulfonyl}-1,2-oxazole alternative view

Chemical Structure Depiction of ChemDiv screening compound D399-0274
3,5-dimethyl-4-{[2-(2-methylphenyl)pyrrolidin-1-yl]sulfonyl}-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

D399-0274

Molecular Formula

C16H20N2O3S (C16 H20 N2 O3 S)

Compound Name

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

IUPAC name

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

SMILES

Cc1noc(C)c1S(N(CCC1)C1c1c(C)cccc1)(=O)=O

InChI

InChI=1S/C16H20N2O3S/c1-11-7-4-5-8-14(11)15-9-6-10-18(15)22(19,20)16-12(2)17-21-13(16)3/h4-5,7-8,15H,6,9-10H2,1-3H3/t15-/m0/s1

InChI Key

IUBXYKOIHDIUPF-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD10702789

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

320.41

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

2.504

Distribution Coefficient, logD

2.504

Water Solubility, LogSw

-2.52

Polar Surface Area

54.553

Acid Dissociation Constant (pKa)

24.85

Base Dissociation Constant (pKb)

-3.92

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

43.80

D399-0274 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with D399-0274 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D399-0274?
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What is the minimum amount of D399-0274 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D399-0274
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D399-0274
  • 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 D399-0274 available by request