D398-0108 Screening compound: 3-[2-(4-chlorophenyl)pyrrolidine-1-carbonyl]-5-(3,4-dimethoxyphenyl)-1,2-oxazole

D398-0108 Screening compound: 3-[2-(4-chlorophenyl)pyrrolidine-1-carbonyl]-5-(3,4-dimethoxyphenyl)-1,2-oxazole
D398-0108 Screening compound: 3-[2-(4-chlorophenyl)pyrrolidine-1-carbonyl]-5-(3,4-dimethoxyphenyl)-1,2-oxazole alternative view

Chemical Structure Depiction of ChemDiv screening compound D398-0108
3-[2-(4-chlorophenyl)pyrrolidine-1-carbonyl]-5-(3,4-dimethoxyphenyl)-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

D398-0108

Molecular Formula

C22H21ClN2O4 (C22 H21 ClN2 O4)

Compound Name

3-[2-(4-chlorophenyl)pyrrolidine-1-carbonyl]-5-(3,4-dimethoxyphenyl)-1,2-oxazole

IUPAC name

3-[2-(4-chlorophenyl)pyrrolidine-1-carbonyl]-5-(34-dimethoxyphenyl)-12-oxazole

SMILES

COc(ccc(-c1cc(C(N(CCC2)C2c(cc2)ccc2Cl)=O)no1)c1)c1OC

InChI

InChI=1S/C22H21ClN2O4/c1-27-19-10-7-15(12-21(19)28-2)20-13-17(24-29-20)22(26)25-11-3-4-18(25)14-5-8-16(23)9-6-14/h5-10,12-13,18H,3-4,11H2,1-2H3/t18-/m0/s1

InChI Key

RMUPIMOMGICJFM-SFHVURJKSA-N

MDL Number (MFCD)

MFCD10702318

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

412.87

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.186

Distribution Coefficient, logD

4.186

Water Solubility, LogSw

-4.79

Polar Surface Area

53.471

Acid Dissociation Constant (pKa)

23.66

Base Dissociation Constant (pKb)

-8.20

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.30

D398-0108 in Drug Discovery

Included in Screening Libraries

GPCR Targeted Library (31838 compounds)

Macl-GPIb alpha Interaction Library (22969 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Targeted Diversity Library (40567 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Hemic and lymphatic
  • Cardiovascular
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
  • Cancer
Targets:
  • GPCR
  • Kinases
Mechanism of action:
  • Receptor's ligands
  • PPI modulators

References: we are preparing a list of scientific research reports with D398-0108 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D398-0108?
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What is the minimum amount of D398-0108 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D398-0108
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D398-0108
  • 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 D398-0108 available by request