8017-3893 Screening compound: 2-amino-5-(4-bromophenyl)-3-furonitrile

8017-3893 Screening compound: 2-amino-5-(4-bromophenyl)-3-furonitrile
8017-3893 Screening compound: 2-amino-5-(4-bromophenyl)-3-furonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-3893
2-amino-5-(4-bromophenyl)-3-furonitrile

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

8017-3893

Molecular Formula

C11H7BrN2O (C11 H7 BrN2 O)

Compound Name

2-amino-5-(4-bromophenyl)-3-furonitrile

IUPAC name

2-amino-5-(4-bromophenyl)furan-3-carbonitrile

SMILES

Nc(oc(-c(cc1)ccc1Br)c1)c1C#N

InChI

InChI=1S/C11H7BrN2O/c12-9-3-1-7(2-4-9)10-5-8(6-13)11(14)15-10/h1-5H,14H2

InChI Key

OPAVHIMDYMQERE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06016434

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

263.09

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

2.928

Distribution Coefficient, logD

2.928

Water Solubility, LogSw

-3.44

Polar Surface Area

46.723

Acid Dissociation Constant (pKa)

18.71

Base Dissociation Constant (pKb)

-5.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

8017-3893 in Drug Discovery

Included in Screening Libraries

GABA Library (7115 compounds)

Crystallographic and 19F NMR fragment-libraries (624 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Eye
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands
  • Epigenetic

References: we are preparing a list of scientific research reports with 8017-3893 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-3893?
Check Price and Availability of 8017-3893, 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 8017-3893 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-3893
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-3893
  • 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 8017-3893 available by request