F431-0214 Screening compound: N-[6-(isopropylsulfanyl)-1,3-dimethyl-2-oxo-2,3-dihydro-1H-1,3-benzimidazol-5-yl]-2,2-dimethylpropanamide

F431-0214 Screening compound: N-[6-(isopropylsulfanyl)-1,3-dimethyl-2-oxo-2,3-dihydro-1H-1,3-benzimidazol-5-yl]-2,2-dimethylpropanamide
F431-0214 Screening compound: N-[6-(isopropylsulfanyl)-1,3-dimethyl-2-oxo-2,3-dihydro-1H-1,3-benzimidazol-5-yl]-2,2-dimethylpropanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F431-0214
N-[6-(isopropylsulfanyl)-1,3-dimethyl-2-oxo-2,3-dihydro-1H-1,3-benzimidazol-5-yl]-2,2-dimethylpropanamide

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

F431-0214

Molecular Formula

C17H25N3O2S (C17 H25 N3 O2 S)

Compound Name

N-[6-(isopropylsulfanyl)-1,3-dimethyl-2-oxo-2,3-dihydro-1H-1,3-benzimidazol-5-yl]-2,2-dimethylpropanamide

IUPAC name

N-[13-dimethyl-2-oxo-6-(propan-2-ylsulfanyl)-23-dihydro-1H-13-benzodiazol-5-yl]-22-dimethylpropanamide

SMILES

CC(C)Sc(cc(c(N1C)c2)N(C)C1=O)c2NC(C(C)(C)C)=O

InChI

InChI=1S/C17H25N3O2S/c1-10(2)23-14-9-13-12(19(6)16(22)20(13)7)8-11(14)18-15(21)17(3,4)5/h8-10H,1-7H3,(H,18,21)

InChI Key

FABTXRALOYJVJP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27128277

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

335.47

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.697

Distribution Coefficient, logD

3.697

Water Solubility, LogSw

-4.00

Polar Surface Area

40.588

Acid Dissociation Constant (pKa)

10.89

Base Dissociation Constant (pKb)

3.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.94

F431-0214 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with F431-0214 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F431-0214?
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What is the minimum amount of F431-0214 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F431-0214
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F431-0214
  • 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 F431-0214 available by request