D399-3139 Screening compound: methyl 2-{[2-(2-methylphenyl)pyrrolidine-1-carbonyl]amino}acetate

D399-3139 Screening compound: methyl 2-{[2-(2-methylphenyl)pyrrolidine-1-carbonyl]amino}acetate
D399-3139 Screening compound: methyl 2-{[2-(2-methylphenyl)pyrrolidine-1-carbonyl]amino}acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound D399-3139
methyl 2-{[2-(2-methylphenyl)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

D399-3139

Molecular Formula

C15H20N2O3 (C15 H20 N2 O3)

Compound Name

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

IUPAC name

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

SMILES

Cc1c(C(CCC2)N2C(NCC(OC)=O)=O)cccc1

InChI

InChI=1S/C15H20N2O3/c1-11-6-3-4-7-12(11)13-8-5-9-17(13)15(19)16-10-14(18)20-2/h3-4,6-7,13H,5,8-10H2,1-2H3,(H,16,19)/t13-/m0/s1

InChI Key

ZJUNWBNLYYSNKX-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD10702375

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

276.34

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

1.952

Distribution Coefficient, logD

1.952

Water Solubility, LogSw

-2.08

Polar Surface Area

47.668

Acid Dissociation Constant (pKa)

15.99

Base Dissociation Constant (pKb)

-3.20

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

46.67

D399-3139 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

3D-Fragment Library (4274 compounds)

Macl-GPIb alpha Interaction Library (22969 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • 3D
  • Fragments
  • Cyclic compounds
Therapeutical areas:
  • Hemic and lymphatic
  • Cardiovascular
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with D399-3139 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D399-3139?
Check Price and Availability of D399-3139, 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 D399-3139 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D399-3139
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D399-3139
  • 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 D399-3139 available by request