D399-3631 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-2-(4-fluorophenyl)pyrrolidine-1-carboxamide

D399-3631 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-2-(4-fluorophenyl)pyrrolidine-1-carboxamide
D399-3631 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-2-(4-fluorophenyl)pyrrolidine-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D399-3631
N-(2H-1,3-benzodioxol-5-yl)-2-(4-fluorophenyl)pyrrolidine-1-carboxamide

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

D399-3631

Molecular Formula

C18H17FN2O3 (C18 H17 FN2 O3)

Compound Name

N-(2H-1,3-benzodioxol-5-yl)-2-(4-fluorophenyl)pyrrolidine-1-carboxamide

IUPAC name

N-(2H-13-benzodioxol-5-yl)-2-(4-fluorophenyl)pyrrolidine-1-carboxamide

SMILES

O=C(Nc(cc1)cc2c1OCO2)N(CCC1)C1c(cc1)ccc1F

InChI

InChI=1S/C18H17FN2O3/c19-13-5-3-12(4-6-13)15-2-1-9-21(15)18(22)20-14-7-8-16-17(10-14)24-11-23-16/h3-8,10,15H,1-2,9,11H2,(H,20,22)/t15-/m0/s1

InChI Key

SKFKFKOEUCNESR-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD10703053

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

328.34

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.301

Distribution Coefficient, logD

3.301

Water Solubility, LogSw

-3.43

Polar Surface Area

42.611

Acid Dissociation Constant (pKa)

13.41

Base Dissociation Constant (pKb)

0.46

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.80

D399-3631 in Drug Discovery

Included in Screening Libraries

Macl-GPIb alpha Interaction Library (22969 compounds)

Protein-Protein Interaction Library (218420 compounds)

Targeted Diversity Library (40567 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Hemic and lymphatic
  • Cardiovascular
Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds
Agro:
  • Agro

References: we are preparing a list of scientific research reports with D399-3631 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D399-3631?
Check Price and Availability of D399-3631, 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 D399-3631 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D399-3631
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D399-3631
  • 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 D399-3631 available by request