D399-3566 Screening compound: 2-(3-fluorophenyl)-N-(3-methylbutyl)pyrrolidine-1-carboxamide

D399-3566 Screening compound: 2-(3-fluorophenyl)-N-(3-methylbutyl)pyrrolidine-1-carboxamide
D399-3566 Screening compound: 2-(3-fluorophenyl)-N-(3-methylbutyl)pyrrolidine-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D399-3566
2-(3-fluorophenyl)-N-(3-methylbutyl)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

D399-3566

Molecular Formula

C16H23FN2O (C16 H23 FN2 O)

Compound Name

2-(3-fluorophenyl)-N-(3-methylbutyl)pyrrolidine-1-carboxamide

IUPAC name

2-(3-fluorophenyl)-N-(3-methylbutyl)pyrrolidine-1-carboxamide

SMILES

CC(C)CCNC(N(CCC1)C1c1cccc(F)c1)=O

InChI

InChI=1S/C16H23FN2O/c1-12(2)8-9-18-16(20)19-10-4-7-15(19)13-5-3-6-14(17)11-13/h3,5-6,11-12,15H,4,7-10H2,1-2H3,(H,18,20)/t15-/m0/s1

InChI Key

WMPGLLKIKLCDAR-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD27583803

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

278.37

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.798

Distribution Coefficient, logD

3.798

Water Solubility, LogSw

-3.80

Polar Surface Area

26.931

Acid Dissociation Constant (pKa)

16.39

Base Dissociation Constant (pKb)

-0.06

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

56.30

D399-3566 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with D399-3566 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D399-3566?
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What is the minimum amount of D399-3566 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D399-3566
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D399-3566
  • 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 D399-3566 available by request