D202-0031 Screening compound: N-[2-(furan-2-yl)-2-(pyrrolidin-1-yl)ethyl]-4-nitrobenzamide

D202-0031 Screening compound: N-[2-(furan-2-yl)-2-(pyrrolidin-1-yl)ethyl]-4-nitrobenzamide
D202-0031 Screening compound: N-[2-(furan-2-yl)-2-(pyrrolidin-1-yl)ethyl]-4-nitrobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D202-0031
N-[2-(furan-2-yl)-2-(pyrrolidin-1-yl)ethyl]-4-nitrobenzamide

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

D202-0031

Molecular Formula

C17H19N3O4 (C17 H19 N3 O4)

Compound Name

N-[2-(furan-2-yl)-2-(pyrrolidin-1-yl)ethyl]-4-nitrobenzamide

IUPAC name

N-[2-(furan-2-yl)-2-(pyrrolidin-1-yl)ethyl]-4-nitrobenzamide

SMILES

[O-][N+](c(cc1)ccc1C(NCC(c1ccco1)N1CCCC1)=O)=O

InChI

InChI=1S/C17H19N3O4/c21-17(13-5-7-14(8-6-13)20(22)23)18-12-15(16-4-3-11-24-16)19-9-1-2-10-19/h3-8,11,15H,1-2,9-10,12H2,(H,18,21)/t15-/m0/s1

InChI Key

QYFALATWQFESRB-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD07427637

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

329.36

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.106

Distribution Coefficient, logD

1.911

Water Solubility, LogSw

-2.60

Polar Surface Area

69.967

Acid Dissociation Constant (pKa)

11.71

Base Dissociation Constant (pKb)

7.15

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

35.30

D202-0031 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D202-0031 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D202-0031?
Check Price and Availability of D202-0031, 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 D202-0031 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D202-0031
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D202-0031
  • 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 D202-0031 available by request