D398-0014 Screening compound: 5-(2-methoxyphenyl)-3-[2-(thiophen-2-yl)pyrrolidine-1-carbonyl]-1,2-oxazole

D398-0014 Screening compound: 5-(2-methoxyphenyl)-3-[2-(thiophen-2-yl)pyrrolidine-1-carbonyl]-1,2-oxazole
D398-0014 Screening compound: 5-(2-methoxyphenyl)-3-[2-(thiophen-2-yl)pyrrolidine-1-carbonyl]-1,2-oxazole alternative view

Chemical Structure Depiction of ChemDiv screening compound D398-0014
5-(2-methoxyphenyl)-3-[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

D398-0014

Molecular Formula

C19H18N2O3S (C19 H18 N2 O3 S)

Compound Name

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

IUPAC name

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

SMILES

COc(cccc1)c1-c1cc(C(N(CCC2)C2c2cccs2)=O)no1

InChI

InChI=1S/C19H18N2O3S/c1-23-16-8-3-2-6-13(16)17-12-14(20-24-17)19(22)21-10-4-7-15(21)18-9-5-11-25-18/h2-3,5-6,8-9,11-12,15H,4,7,10H2,1H3/t15-/m0/s1

InChI Key

KARAMXHORUGYQJ-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD14826340

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

3.403

Distribution Coefficient, logD

3.403

Water Solubility, LogSw

-3.78

Polar Surface Area

46.859

Acid Dissociation Constant (pKa)

26.65

Base Dissociation Constant (pKb)

-6.40

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.30

D398-0014 in Drug Discovery

Included in Screening Libraries

MDM2-p53 interaction inhibitors Library (21687 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with D398-0014 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D398-0014?
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What is the minimum amount of D398-0014 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D398-0014
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D398-0014
  • 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 D398-0014 available by request