F431-0208 Screening compound: 4-tert-butyl-N-[1,3-dimethyl-2-oxo-6-(propan-2-ylsulfanyl)-2,3-dihydro-1H-1,3-benzodiazol-5-yl]benzamide

F431-0208 Screening compound: 4-tert-butyl-N-[1,3-dimethyl-2-oxo-6-(propan-2-ylsulfanyl)-2,3-dihydro-1H-1,3-benzodiazol-5-yl]benzamide
F431-0208 Screening compound: 4-tert-butyl-N-[1,3-dimethyl-2-oxo-6-(propan-2-ylsulfanyl)-2,3-dihydro-1H-1,3-benzodiazol-5-yl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F431-0208
4-tert-butyl-N-[1,3-dimethyl-2-oxo-6-(propan-2-ylsulfanyl)-2,3-dihydro-1H-1,3-benzodiazol-5-yl]benzamide

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

F431-0208

Molecular Formula

C23H29N3O2S (C23 H29 N3 O2 S)

Compound Name

4-tert-butyl-N-[1,3-dimethyl-2-oxo-6-(propan-2-ylsulfanyl)-2,3-dihydro-1H-1,3-benzodiazol-5-yl]benzamide

IUPAC name

4-tert-butyl-N-[13-dimethyl-2-oxo-6-(propan-2-ylsulfanyl)-23-dihydro-1H-13-benzodiazol-5-yl]benzamide

SMILES

CC(C)Sc(cc(c(N1C)c2)N(C)C1=O)c2NC(c1ccc(C(C)(C)C)cc1)=O

InChI

InChI=1S/C23H29N3O2S/c1-14(2)29-20-13-19-18(25(6)22(28)26(19)7)12-17(20)24-21(27)15-8-10-16(11-9-15)23(3,4)5/h8-14H,1-7H3,(H,24,27)

InChI Key

HAMUZTNAKNAHLO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27128273

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

411.57

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

5.901

Distribution Coefficient, logD

5.899

Water Solubility, LogSw

-5.42

Polar Surface Area

40.316

Acid Dissociation Constant (pKa)

9.79

Base Dissociation Constant (pKb)

-1.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

39.10

References: we are preparing a list of scientific research reports with F431-0208 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F431-0208?
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What is the minimum amount of F431-0208 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F431-0208
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F431-0208
  • 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 F431-0208 available by request