F431-0346 Screening compound: N-[1,3-diethyl-2-oxo-6-(phenylsulfanyl)-2,3-dihydro-1H-1,3-benzodiazol-5-yl]-3,4,5-trimethoxybenzamide

F431-0346 Screening compound: N-[1,3-diethyl-2-oxo-6-(phenylsulfanyl)-2,3-dihydro-1H-1,3-benzodiazol-5-yl]-3,4,5-trimethoxybenzamide
F431-0346 Screening compound: N-[1,3-diethyl-2-oxo-6-(phenylsulfanyl)-2,3-dihydro-1H-1,3-benzodiazol-5-yl]-3,4,5-trimethoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F431-0346
N-[1,3-diethyl-2-oxo-6-(phenylsulfanyl)-2,3-dihydro-1H-1,3-benzodiazol-5-yl]-3,4,5-trimethoxybenzamide

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

F431-0346

Molecular Formula

C27H29N3O5S (C27 H29 N3 O5 S)

Compound Name

N-[1,3-diethyl-2-oxo-6-(phenylsulfanyl)-2,3-dihydro-1H-1,3-benzodiazol-5-yl]-3,4,5-trimethoxybenzamide

IUPAC name

N-[13-diethyl-2-oxo-6-(phenylsulfanyl)-23-dihydro-1H-13-benzodiazol-5-yl]-345-trimethoxybenzamide

SMILES

CCN(c(c(N1CC)c2)cc(NC(c(cc3OC)cc(OC)c3OC)=O)c2Sc2ccccc2)C1=O

InChI

InChI=1S/C27H29N3O5S/c1-6-29-20-15-19(28-26(31)17-13-22(33-3)25(35-5)23(14-17)34-4)24(36-18-11-9-8-10-12-18)16-21(20)30(7-2)27(29)32/h8-16H,6-7H2,1-5H3,(H,28,31)

InChI Key

YAIRKJMDZHJTCJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27128310

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

507.61

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.508

Distribution Coefficient, logD

5.508

Water Solubility, LogSw

-5.33

Polar Surface Area

62.941

Acid Dissociation Constant (pKa)

12.92

Base Dissociation Constant (pKb)

-0.93

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.90

References: we are preparing a list of scientific research reports with F431-0346 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F431-0346?
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What is the minimum amount of F431-0346 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F431-0346
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F431-0346
  • 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 F431-0346 available by request