D398-0062 Screening compound: (1-ethyl-1H-pyrazol-5-yl)[2-(2-thienyl)-1-pyrrolidinyl]methanone

D398-0062 Screening compound: (1-ethyl-1H-pyrazol-5-yl)[2-(2-thienyl)-1-pyrrolidinyl]methanone
D398-0062 Screening compound: (1-ethyl-1H-pyrazol-5-yl)[2-(2-thienyl)-1-pyrrolidinyl]methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound D398-0062
(1-ethyl-1H-pyrazol-5-yl)[2-(2-thienyl)-1-pyrrolidinyl]methanone

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

D398-0062

Molecular Formula

C14H17N3OS (C14 H17 N3 OS)

Compound Name

(1-ethyl-1H-pyrazol-5-yl)[2-(2-thienyl)-1-pyrrolidinyl]methanone

IUPAC name

n/a

SMILES

CCn1nccc1C(N(CCC1)C1c1cccs1)=O

InChI

InChI=1S/C14H17N3OS/c1-2-17-12(7-8-15-17)14(18)16-9-3-5-11(16)13-6-4-10-19-13/h4,6-8,10-11H,2-3,5,9H2,1H3/t11-/m0/s1

InChI Key

MXTQVXDGTSBJNX-NSHDSACASA-N

MDL Number (MFCD)

MFCD14826354

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

275.37

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.655

Distribution Coefficient, logD

1.655

Water Solubility, LogSw

-2.04

Polar Surface Area

30.782

Acid Dissociation Constant (pKa)

26.65

Base Dissociation Constant (pKb)

1.74

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.90

D398-0062 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 D398-0062 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D398-0062?
Check Price and Availability of D398-0062, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of D398-0062 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D398-0062
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D398-0062
  • 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 D398-0062 available by request