D398-0029 Screening compound: 3-(4-methoxyphenyl)-5-[2-(thiophen-2-yl)pyrrolidine-1-carbonyl]-1,2-oxazole

D398-0029 Screening compound: 3-(4-methoxyphenyl)-5-[2-(thiophen-2-yl)pyrrolidine-1-carbonyl]-1,2-oxazole
D398-0029 Screening compound: 3-(4-methoxyphenyl)-5-[2-(thiophen-2-yl)pyrrolidine-1-carbonyl]-1,2-oxazole alternative view

Chemical Structure Depiction of ChemDiv screening compound D398-0029
3-(4-methoxyphenyl)-5-[2-(thiophen-2-yl)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

D398-0029

Molecular Formula

C19H18N2O3S (C19 H18 N2 O3 S)

Compound Name

3-(4-methoxyphenyl)-5-[2-(thiophen-2-yl)pyrrolidine-1-carbonyl]-1,2-oxazole

IUPAC name

3-(4-methoxyphenyl)-5-[2-(thiophen-2-yl)pyrrolidine-1-carbonyl]-12-oxazole

SMILES

COc(cc1)ccc1-c1noc(C(N(CCC2)C2c2cccs2)=O)c1

InChI

InChI=1S/C19H18N2O3S/c1-23-14-8-6-13(7-9-14)15-12-17(24-20-15)19(22)21-10-2-4-16(21)18-5-3-11-25-18/h3,5-9,11-12,16H,2,4,10H2,1H3/t16-/m0/s1

InChI Key

RBYHFXHMUFYZDA-INIZCTEOSA-N

MDL Number (MFCD)

MFCD10702147

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

354.43

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.815

Distribution Coefficient, logD

3.815

Water Solubility, LogSw

-3.93

Polar Surface Area

46.772

Acid Dissociation Constant (pKa)

26.65

Base Dissociation Constant (pKb)

-5.26

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.30

D398-0029 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 D398-0029 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D398-0029?
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What is the minimum amount of D398-0029 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D398-0029
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D398-0029
  • 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 D398-0029 available by request