D399-3643 Screening compound: methyl 2-{[2-(4-fluorophenyl)pyrrolidine-1-carbonyl]amino}acetate

D399-3643 Screening compound: methyl 2-{[2-(4-fluorophenyl)pyrrolidine-1-carbonyl]amino}acetate
D399-3643 Screening compound: methyl 2-{[2-(4-fluorophenyl)pyrrolidine-1-carbonyl]amino}acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound D399-3643
methyl 2-{[2-(4-fluorophenyl)pyrrolidine-1-carbonyl]amino}acetate

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

D399-3643

Molecular Formula

C14H17FN2O3 (C14 H17 FN2 O3)

Compound Name

methyl 2-{[2-(4-fluorophenyl)pyrrolidine-1-carbonyl]amino}acetate

IUPAC name

methyl 2-{[2-(4-fluorophenyl)pyrrolidine-1-carbonyl]amino}acetate

SMILES

COC(CNC(N(CCC1)C1c(cc1)ccc1F)=O)=O

InChI

InChI=1S/C14H17FN2O3/c1-20-13(18)9-16-14(19)17-8-2-3-12(17)10-4-6-11(15)7-5-10/h4-7,12H,2-3,8-9H2,1H3,(H,16,19)/t12-/m0/s1

InChI Key

HIMQSTNBBBTHKC-LBPRGKRZSA-N

MDL Number (MFCD)

MFCD10702952

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

280.3

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.528

Distribution Coefficient, logD

1.528

Water Solubility, LogSw

-1.93

Polar Surface Area

47.668

Acid Dissociation Constant (pKa)

15.99

Base Dissociation Constant (pKb)

-2.57

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.86

D399-3643 in Drug Discovery

Included in Screening Libraries

3D-Fragment Library (4274 compounds)

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

Macl-GPIb alpha Interaction Library (22969 compounds)

Protein-Protein Interaction Library (218420 compounds)

Soluble Diversity Library (15920 compounds)

Targeted Diversity Library (40567 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Fragments
  • Cyclic compounds
Therapeutical areas:
  • Hemic and lymphatic
  • Cardiovascular
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • PPI modulators
  • Epigenetic

References: we are preparing a list of scientific research reports with D399-3643 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D399-3643?
Check Price and Availability of D399-3643, 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 D399-3643 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D399-3643
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D399-3643
  • 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 D399-3643 available by request