D399-3483 Screening compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-fluorophenyl)pyrrolidine-1-carboxamide

D399-3483 Screening compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-fluorophenyl)pyrrolidine-1-carboxamide
D399-3483 Screening compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-fluorophenyl)pyrrolidine-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D399-3483
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-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

D399-3483

Molecular Formula

C19H19FN2O3 (C19 H19 FN2 O3)

Compound Name

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-fluorophenyl)pyrrolidine-1-carboxamide

IUPAC name

N-(23-dihydro-14-benzodioxin-6-yl)-2-(2-fluorophenyl)pyrrolidine-1-carboxamide

SMILES

O=C(Nc(cc1)cc2c1OCCO2)N(CCC1)C1c(cccc1)c1F

InChI

InChI=1S/C19H19FN2O3/c20-15-5-2-1-4-14(15)16-6-3-9-22(16)19(23)21-13-7-8-17-18(12-13)25-11-10-24-17/h1-2,4-5,7-8,12,16H,3,6,9-11H2,(H,21,23)/t16-/m0/s1

InChI Key

LTSQQFJQISKMEI-INIZCTEOSA-N

MDL Number (MFCD)

MFCD10703035

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

342.37

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

2.577

Distribution Coefficient, logD

2.577

Water Solubility, LogSw

-3.07

Polar Surface Area

41.319

Acid Dissociation Constant (pKa)

13.57

Base Dissociation Constant (pKb)

0.24

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.60

D399-3483 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)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with D399-3483 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D399-3483?
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What is the minimum amount of D399-3483 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D399-3483
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D399-3483
  • 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 D399-3483 available by request