F160-0448 Screening compound: 2-({5,6-dimethyl-4-oxo-3H,4H-furo[2,3-d]pyrimidin-3-yl}methyl)benzonitrile

F160-0448 Screening compound: 2-({5,6-dimethyl-4-oxo-3H,4H-furo[2,3-d]pyrimidin-3-yl}methyl)benzonitrile
F160-0448 Screening compound: 2-({5,6-dimethyl-4-oxo-3H,4H-furo[2,3-d]pyrimidin-3-yl}methyl)benzonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound F160-0448
2-({5,6-dimethyl-4-oxo-3H,4H-furo[2,3-d]pyrimidin-3-yl}methyl)benzonitrile

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

F160-0448

Molecular Formula

C16H13N3O2 (C16 H13 N3 O2)

Compound Name

2-({5,6-dimethyl-4-oxo-3H,4H-furo[2,3-d]pyrimidin-3-yl}methyl)benzonitrile

IUPAC name

2-({56-dimethyl-4-oxo-3H4H-furo[23-d]pyrimidin-3-yl}methyl)benzonitrile

SMILES

Cc1c(C)oc(N=CN2Cc(cccc3)c3C#N)c1C2=O

InChI

InChI=1S/C16H13N3O2/c1-10-11(2)21-15-14(10)16(20)19(9-18-15)8-13-6-4-3-5-12(13)7-17/h3-6,9H,8H2,1-2H3

InChI Key

BVXPXLBUNPJERZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27106054

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

279.3

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.040

Distribution Coefficient, logD

2.040

Water Solubility, LogSw

-2.73

Polar Surface Area

50.778

Acid Dissociation Constant (pKa)

27.89

Base Dissociation Constant (pKb)

1.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.80

F160-0448 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with F160-0448 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F160-0448?
Check Price and Availability of F160-0448, 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 F160-0448 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F160-0448
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F160-0448
  • 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 F160-0448 available by request