D398-0068 Screening compound: 1-(furan-2-carbonyl)-2-(thiophen-2-yl)pyrrolidine

D398-0068 Screening compound: 1-(furan-2-carbonyl)-2-(thiophen-2-yl)pyrrolidine
D398-0068 Screening compound: 1-(furan-2-carbonyl)-2-(thiophen-2-yl)pyrrolidine alternative view

Chemical Structure Depiction of ChemDiv screening compound D398-0068
1-(furan-2-carbonyl)-2-(thiophen-2-yl)pyrrolidine

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

D398-0068

Molecular Formula

C13H13NO2S (C13 H13 NO2 S)

Compound Name

1-(furan-2-carbonyl)-2-(thiophen-2-yl)pyrrolidine

IUPAC name

1-(furan-2-carbonyl)-2-(thiophen-2-yl)pyrrolidine

SMILES

O=C(c1ccco1)N(CCC1)C1c1cccs1

InChI

InChI=1S/C13H13NO2S/c15-13(11-5-2-8-16-11)14-7-1-4-10(14)12-6-3-9-17-12/h2-3,5-6,8-10H,1,4,7H2/t10-/m0/s1

InChI Key

YYBVPLXTGDAHBW-JTQLQIEISA-N

MDL Number (MFCD)

MFCD20538785

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

247.32

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

2.134

Distribution Coefficient, logD

2.134

Water Solubility, LogSw

-2.30

Polar Surface Area

26.272

Acid Dissociation Constant (pKa)

26.65

Base Dissociation Constant (pKb)

-4.49

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.80

D398-0068 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 compounds)

Fragments Library (11262 compounds)

Akt-Targeted Library (14764 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Cancer
Structure:
  • Fragments
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with D398-0068 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D398-0068?
Check Price and Availability of D398-0068, 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 D398-0068 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D398-0068
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D398-0068
  • 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 D398-0068 available by request