D399-3282 Screening compound: ethyl 3-{[2-(furan-2-yl)pyrrolidine-1-carbonyl]amino}propanoate

D399-3282 Screening compound: ethyl 3-{[2-(furan-2-yl)pyrrolidine-1-carbonyl]amino}propanoate
D399-3282 Screening compound: ethyl 3-{[2-(furan-2-yl)pyrrolidine-1-carbonyl]amino}propanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound D399-3282
ethyl 3-{[2-(furan-2-yl)pyrrolidine-1-carbonyl]amino}propanoate

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

D399-3282

Molecular Formula

C14H20N2O4 (C14 H20 N2 O4)

Compound Name

ethyl 3-{[2-(furan-2-yl)pyrrolidine-1-carbonyl]amino}propanoate

IUPAC name

ethyl 3-{[2-(furan-2-yl)pyrrolidine-1-carbonyl]amino}propanoate

SMILES

CCOC(CCNC(N(CCC1)C1c1ccco1)=O)=O

InChI

InChI=1S/C14H20N2O4/c1-2-19-13(17)7-8-15-14(18)16-9-3-5-11(16)12-6-4-10-20-12/h4,6,10-11H,2-3,5,7-9H2,1H3,(H,15,18)/t11-/m0/s1

InChI Key

OOYZJEASTYOSCC-NSHDSACASA-N

MDL Number (MFCD)

MFCD14826690

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

280.32

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.540

Distribution Coefficient, logD

1.540

Water Solubility, LogSw

-1.91

Polar Surface Area

55.668

Acid Dissociation Constant (pKa)

17.09

Base Dissociation Constant (pKb)

-1.15

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

57.10

D399-3282 in Drug Discovery

Included in Screening Libraries

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

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

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with D399-3282 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D399-3282?
Check Price and Availability of D399-3282, 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 D399-3282 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D399-3282
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D399-3282
  • 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 D399-3282 available by request