V017-3780 Screening compound: N-{bicyclo[2.2.1]heptan-2-yl}-1-[(furan-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide

V017-3780 Screening compound: N-{bicyclo[2.2.1]heptan-2-yl}-1-[(furan-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide
V017-3780 Screening compound: N-{bicyclo[2.2.1]heptan-2-yl}-1-[(furan-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V017-3780
N-{bicyclo[2.2.1]heptan-2-yl}-1-[(furan-2-yl)methyl]-5-oxopyrrolidine-3-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

V017-3780

Molecular Formula

C17H22N2O3 (C17 H22 N2 O3)

Compound Name

N-{bicyclo[2.2.1]heptan-2-yl}-1-[(furan-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide

IUPAC name

N-{bicyclo[2.2.1]heptan-2-yl}-1-[(furan-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide

SMILES

O=C(C(C1)CN(Cc2ccco2)C1=O)NC1C(CC2)CC2C1

InChI

InChI=1S/C17H22N2O3/c20-16-8-13(9-19(16)10-14-2-1-5-22-14)17(21)18-15-7-11-3-4-12(15)6-11/h1-2,5,11-13,15H,3-4,6-10H2,(H,18,21)

InChI Key

BFKROHHGJWJDLT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19971662

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

302.37

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.692

Distribution Coefficient, logD

1.692

Water Solubility, LogSw

-2.06

Polar Surface Area

50.364

Acid Dissociation Constant (pKa)

15.06

Base Dissociation Constant (pKb)

-0.95

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

64.70

V017-3780 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

Soluble Diversity Library (15920 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V017-3780 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V017-3780?
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What is the minimum amount of V017-3780 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V017-3780
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V017-3780
  • 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 V017-3780 available by request