8013-1445 Screening compound: N-[4-(cyanomethyl)phenyl]furan-2-carboxamide

8013-1445 Screening compound: N-[4-(cyanomethyl)phenyl]furan-2-carboxamide
8013-1445 Screening compound: N-[4-(cyanomethyl)phenyl]furan-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-1445
N-[4-(cyanomethyl)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

8013-1445

Molecular Formula

C13H10N2O2 (C13 H10 N2 O2)

Compound Name

N-[4-(cyanomethyl)phenyl]furan-2-carboxamide

IUPAC name

N-[4-(cyanomethyl)phenyl]furan-2-carboxamide

SMILES

N#CCc(cc1)ccc1NC(c1ccco1)=O

InChI

InChI=1S/C13H10N2O2/c14-8-7-10-3-5-11(6-4-10)15-13(16)12-2-1-9-17-12/h1-6,9H,7H2,(H,15,16)

InChI Key

KRRZEIPFEWLBMU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03409302

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

226.23

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.726

Distribution Coefficient, logD

1.726

Water Solubility, LogSw

-1.97

Polar Surface Area

49.400

Acid Dissociation Constant (pKa)

11.54

Base Dissociation Constant (pKb)

-0.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.70

8013-1445 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Fragments Library (11262 compounds)

STING Agonist Library (5895 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Cancer
  • Immune system
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Mechanism of action:
  • Epigenetic
Structure:
  • Fragments
Targets:
  • Others
  • Proteases

References: we are preparing a list of scientific research reports with 8013-1445 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-1445?
Check Price and Availability of 8013-1445, 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 8013-1445 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-1445
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-1445
  • 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 8013-1445 available by request