D398-0698 Screening compound: 5-[2-(1-ethyl-1H-pyrazol-5-yl)pyrrolidine-1-carbonyl]-3-(2-fluorophenyl)-1,2-oxazole

D398-0698 Screening compound: 5-[2-(1-ethyl-1H-pyrazol-5-yl)pyrrolidine-1-carbonyl]-3-(2-fluorophenyl)-1,2-oxazole
D398-0698 Screening compound: 5-[2-(1-ethyl-1H-pyrazol-5-yl)pyrrolidine-1-carbonyl]-3-(2-fluorophenyl)-1,2-oxazole alternative view

Chemical Structure Depiction of ChemDiv screening compound D398-0698
5-[2-(1-ethyl-1H-pyrazol-5-yl)pyrrolidine-1-carbonyl]-3-(2-fluorophenyl)-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

D398-0698

Molecular Formula

C19H19FN4O2 (C19 H19 FN4 O2)

Compound Name

5-[2-(1-ethyl-1H-pyrazol-5-yl)pyrrolidine-1-carbonyl]-3-(2-fluorophenyl)-1,2-oxazole

IUPAC name

5-[2-(1-ethyl-1H-pyrazol-5-yl)pyrrolidine-1-carbonyl]-3-(2-fluorophenyl)-12-oxazole

SMILES

CCn1nccc1C(CCC1)N1C(c1cc(-c(cccc2)c2F)no1)=O

InChI

InChI=1S/C19H19FN4O2/c1-2-24-17(9-10-21-24)16-8-5-11-23(16)19(25)18-12-15(22-26-18)13-6-3-4-7-14(13)20/h3-4,6-7,9-10,12,16H,2,5,8,11H2,1H3/t16-/m0/s1

InChI Key

VGQHTMXICVVMOU-INIZCTEOSA-N

MDL Number (MFCD)

MFCD27583455

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

354.38

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.550

Distribution Coefficient, logD

2.550

Water Solubility, LogSw

-2.80

Polar Surface Area

51.299

Acid Dissociation Constant (pKa)

24.01

Base Dissociation Constant (pKb)

-0.22

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.60

D398-0698 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

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 D398-0698 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D398-0698?
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What is the minimum amount of D398-0698 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D398-0698
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D398-0698
  • 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 D398-0698 available by request