C301-9113 Screening compound: N-[6-(butylsulfanyl)-1,3-dimethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl]-4-propoxybenzamide

C301-9113 Screening compound: N-[6-(butylsulfanyl)-1,3-dimethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl]-4-propoxybenzamide
C301-9113 Screening compound: N-[6-(butylsulfanyl)-1,3-dimethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl]-4-propoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C301-9113
N-[6-(butylsulfanyl)-1,3-dimethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl]-4-propoxybenzamide

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

C301-9113

Molecular Formula

C23H29N3O3S (C23 H29 N3 O3 S)

Compound Name

N-[6-(butylsulfanyl)-1,3-dimethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl]-4-propoxybenzamide

IUPAC name

N-[6-(butylsulfanyl)-13-dimethyl-2-oxo-23-dihydro-1H-13-benzodiazol-5-yl]-4-propoxybenzamide

SMILES

CCCCSc(cc(c(N1C)c2)N(C)C1=O)c2NC(c(cc1)ccc1OCCC)=O

InChI

InChI=1S/C23H29N3O3S/c1-5-7-13-30-21-15-20-19(25(3)23(28)26(20)4)14-18(21)24-22(27)16-8-10-17(11-9-16)29-12-6-2/h8-11,14-15H,5-7,12-13H2,1-4H3,(H,24,27)

InChI Key

FOMACRHJIOZKBN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD26964063

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

427.57

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.773

Distribution Coefficient, logD

5.772

Water Solubility, LogSw

-5.29

Polar Surface Area

47.734

Acid Dissociation Constant (pKa)

10.17

Base Dissociation Constant (pKb)

-1.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

39.10

References: we are preparing a list of scientific research reports with C301-9113 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C301-9113?
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What is the minimum amount of C301-9113 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C301-9113
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C301-9113
  • 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 C301-9113 available by request