4877-0090 Screening compound: N-{4-[(E)-N''-nitrocarbamimidamido]phenyl}furan-2-carboxamide

4877-0090 Screening compound: N-{4-[(E)-N''-nitrocarbamimidamido]phenyl}furan-2-carboxamide
4877-0090 Screening compound: N-{4-[(E)-N''-nitrocarbamimidamido]phenyl}furan-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4877-0090
N-{4-[(E)-N''-nitrocarbamimidamido]phenyl}furan-2-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

4877-0090

Molecular Formula

C12H11N5O4 (C12 H11 N5 O4)

Compound Name

N-{4-[(E)-N''-nitrocarbamimidamido]phenyl}furan-2-carboxamide

IUPAC name

N-{4-[(E)-N''-nitrocarbamimidamido]phenyl}furan-2-carboxamide

SMILES

N/C(/Nc(cc1)ccc1NC(c1ccco1)=O)=N\[N+]([O-])=O

InChI

InChI=1S/C12H11N5O4/c13-12(16-17(19)20)15-9-5-3-8(4-6-9)14-11(18)10-2-1-7-21-10/h1-7H,(H,14,18)(H3,13,15,16)

InChI Key

FHCCRHNHQHZQTM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01468316

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

289.25

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.823

Distribution Coefficient, logD

0.690

Water Solubility, LogSw

-1.71

Polar Surface Area

108.044

Acid Dissociation Constant (pKa)

10.97

Base Dissociation Constant (pKb)

6.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

4877-0090 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 4877-0090 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4877-0090?
Check Price and Availability of 4877-0090, 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 4877-0090 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4877-0090
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4877-0090
  • 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 4877-0090 available by request