D399-3444 Screening compound: N-(3,4-dimethoxyphenyl)-2-(2-fluorophenyl)pyrrolidine-1-carboxamide

D399-3444 Screening compound: N-(3,4-dimethoxyphenyl)-2-(2-fluorophenyl)pyrrolidine-1-carboxamide
D399-3444 Screening compound: N-(3,4-dimethoxyphenyl)-2-(2-fluorophenyl)pyrrolidine-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D399-3444
N-(3,4-dimethoxyphenyl)-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

D399-3444

Molecular Formula

C19H21FN2O3 (C19 H21 FN2 O3)

Compound Name

N-(3,4-dimethoxyphenyl)-2-(2-fluorophenyl)pyrrolidine-1-carboxamide

IUPAC name

N-(34-dimethoxyphenyl)-2-(2-fluorophenyl)pyrrolidine-1-carboxamide

SMILES

COc(ccc(NC(N(CCC1)C1c(cccc1)c1F)=O)c1)c1OC

InChI

InChI=1S/C19H21FN2O3/c1-24-17-10-9-13(12-18(17)25-2)21-19(23)22-11-5-8-16(22)14-6-3-4-7-15(14)20/h3-4,6-7,9-10,12,16H,5,8,11H2,1-2H3,(H,21,23)/t16-/m0/s1

InChI Key

XYFCGNQLIRRCRA-INIZCTEOSA-N

MDL Number (MFCD)

MFCD10702565

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

344.39

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.140

Distribution Coefficient, logD

3.140

Water Solubility, LogSw

-3.34

Polar Surface Area

40.757

Acid Dissociation Constant (pKa)

13.57

Base Dissociation Constant (pKb)

0.32

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.60

D399-3444 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with D399-3444 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D399-3444?
Check Price and Availability of D399-3444, 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 D399-3444 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D399-3444
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D399-3444
  • 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 D399-3444 available by request