V017-9288 Screening compound: N-{bicyclo[2.2.1]heptan-2-yl}-5-oxo-1-phenylpyrrolidine-3-carboxamide

V017-9288 Screening compound: N-{bicyclo[2.2.1]heptan-2-yl}-5-oxo-1-phenylpyrrolidine-3-carboxamide
V017-9288 Screening compound: N-{bicyclo[2.2.1]heptan-2-yl}-5-oxo-1-phenylpyrrolidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V017-9288
N-{bicyclo[2.2.1]heptan-2-yl}-5-oxo-1-phenylpyrrolidine-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

V017-9288

Molecular Formula

C18H22N2O2 (C18 H22 N2 O2)

Compound Name

N-{bicyclo[2.2.1]heptan-2-yl}-5-oxo-1-phenylpyrrolidine-3-carboxamide

IUPAC name

N-{bicyclo[2.2.1]heptan-2-yl}-5-oxo-1-phenylpyrrolidine-3-carboxamide

SMILES

O=C(C(CC1=O)CN1c1ccccc1)NC1C(CC2)CC2C1

InChI

InChI=1S/C18H22N2O2/c21-17-10-14(11-20(17)15-4-2-1-3-5-15)18(22)19-16-9-12-6-7-13(16)8-12/h1-5,12-14,16H,6-11H2,(H,19,22)

InChI Key

VPAQOMDWPCQRGW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19971693

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

298.38

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.404

Distribution Coefficient, logD

2.404

Water Solubility, LogSw

-2.66

Polar Surface Area

42.170

Acid Dissociation Constant (pKa)

13.27

Base Dissociation Constant (pKb)

-0.43

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

55.60

V017-9288 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 V017-9288 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V017-9288?
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What is the minimum amount of V017-9288 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V017-9288
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V017-9288
  • 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 V017-9288 available by request