D220-0022 Screening compound: N-[(furan-2-yl)methyl]-4-nitro-N-[(thiophen-2-yl)methyl]benzamide

D220-0022 Screening compound: N-[(furan-2-yl)methyl]-4-nitro-N-[(thiophen-2-yl)methyl]benzamide
D220-0022 Screening compound: N-[(furan-2-yl)methyl]-4-nitro-N-[(thiophen-2-yl)methyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D220-0022
N-[(furan-2-yl)methyl]-4-nitro-N-[(thiophen-2-yl)methyl]benzamide

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

D220-0022

Molecular Formula

C17H14N2O4S (C17 H14 N2 O4 S)

Compound Name

N-[(furan-2-yl)methyl]-4-nitro-N-[(thiophen-2-yl)methyl]benzamide

IUPAC name

N-[(furan-2-yl)methyl]-4-nitro-N-[(thiophen-2-yl)methyl]benzamide

SMILES

[O-][N+](c(cc1)ccc1C(N(Cc1ccco1)Cc1cccs1)=O)=O

InChI

InChI=1S/C17H14N2O4S/c20-17(13-5-7-14(8-6-13)19(21)22)18(11-15-3-1-9-23-15)12-16-4-2-10-24-16/h1-10H,11-12H2

InChI Key

CQLPCPBPMPCPEO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06683727

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

342.38

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.487

Distribution Coefficient, logD

3.487

Water Solubility, LogSw

-3.72

Polar Surface Area

58.327

Acid Dissociation Constant (pKa)

31.62

Base Dissociation Constant (pKb)

-5.80

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.80

D220-0022 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 D220-0022 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D220-0022?
Check Price and Availability of D220-0022, 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 D220-0022 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D220-0022
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D220-0022
  • 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 D220-0022 available by request