D398-0408 Screening compound: 3-(4-fluorophenyl)-5-[2-(2-methylphenyl)pyrrolidine-1-carbonyl]-1,2-oxazole

D398-0408 Screening compound: 3-(4-fluorophenyl)-5-[2-(2-methylphenyl)pyrrolidine-1-carbonyl]-1,2-oxazole
D398-0408 Screening compound: 3-(4-fluorophenyl)-5-[2-(2-methylphenyl)pyrrolidine-1-carbonyl]-1,2-oxazole alternative view

Chemical Structure Depiction of ChemDiv screening compound D398-0408
3-(4-fluorophenyl)-5-[2-(2-methylphenyl)pyrrolidine-1-carbonyl]-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

D398-0408

Molecular Formula

C21H19FN2O2 (C21 H19 FN2 O2)

Compound Name

3-(4-fluorophenyl)-5-[2-(2-methylphenyl)pyrrolidine-1-carbonyl]-1,2-oxazole

IUPAC name

3-(4-fluorophenyl)-5-[2-(2-methylphenyl)pyrrolidine-1-carbonyl]-12-oxazole

SMILES

Cc1c(C(CCC2)N2C(c2cc(-c(cc3)ccc3F)no2)=O)cccc1

InChI

InChI=1S/C21H19FN2O2/c1-14-5-2-3-6-17(14)19-7-4-12-24(19)21(25)20-13-18(23-26-20)15-8-10-16(22)11-9-15/h2-3,5-6,8-11,13,19H,4,7,12H2,1H3/t19-/m0/s1

InChI Key

GQZDQBOXBXFAIE-IBGZPJMESA-N

MDL Number (MFCD)

MFCD10702381

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

350.39

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.668

Distribution Coefficient, logD

4.668

Water Solubility, LogSw

-4.42

Polar Surface Area

38.210

Acid Dissociation Constant (pKa)

23.30

Base Dissociation Constant (pKb)

-5.57

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.80

D398-0408 in Drug Discovery

Included in Screening Libraries

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with D398-0408 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D398-0408?
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What is the minimum amount of D398-0408 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D398-0408
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D398-0408
  • 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 D398-0408 available by request