F431-0016 Screening compound: N-[1,3-dimethyl-2-oxo-6-(phenylsulfanyl)-2,3-dihydro-1H-1,3-benzodiazol-5-yl]-3-methylbutanamide

F431-0016 Screening compound: N-[1,3-dimethyl-2-oxo-6-(phenylsulfanyl)-2,3-dihydro-1H-1,3-benzodiazol-5-yl]-3-methylbutanamide
F431-0016 Screening compound: N-[1,3-dimethyl-2-oxo-6-(phenylsulfanyl)-2,3-dihydro-1H-1,3-benzodiazol-5-yl]-3-methylbutanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F431-0016
N-[1,3-dimethyl-2-oxo-6-(phenylsulfanyl)-2,3-dihydro-1H-1,3-benzodiazol-5-yl]-3-methylbutanamide

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

F431-0016

Molecular Formula

C20H23N3O2S (C20 H23 N3 O2 S)

Compound Name

N-[1,3-dimethyl-2-oxo-6-(phenylsulfanyl)-2,3-dihydro-1H-1,3-benzodiazol-5-yl]-3-methylbutanamide

IUPAC name

N-[13-dimethyl-2-oxo-6-(phenylsulfanyl)-23-dihydro-1H-13-benzodiazol-5-yl]-3-methylbutanamide

SMILES

CC(C)CC(Nc(cc(c(N1C)c2)N(C)C1=O)c2Sc1ccccc1)=O

InChI

InChI=1S/C20H23N3O2S/c1-13(2)10-19(24)21-15-11-16-17(23(4)20(25)22(16)3)12-18(15)26-14-8-6-5-7-9-14/h5-9,11-13H,10H2,1-4H3,(H,21,24)

InChI Key

KEJMPHRRYRMRGD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27128204

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

369.49

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.300

Distribution Coefficient, logD

4.300

Water Solubility, LogSw

-4.18

Polar Surface Area

40.103

Acid Dissociation Constant (pKa)

12.52

Base Dissociation Constant (pKb)

-0.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

F431-0016 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with F431-0016 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F431-0016?
Check Price and Availability of F431-0016, 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 F431-0016 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F431-0016
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F431-0016
  • 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 F431-0016 available by request