C301-9127 Screening compound: N-[1,3-diethyl-2-oxo-6-(phenylsulfanyl)-2,3-dihydro-1H-1,3-benzodiazol-5-yl]-4-propoxybenzamide

C301-9127 Screening compound: N-[1,3-diethyl-2-oxo-6-(phenylsulfanyl)-2,3-dihydro-1H-1,3-benzodiazol-5-yl]-4-propoxybenzamide
C301-9127 Screening compound: N-[1,3-diethyl-2-oxo-6-(phenylsulfanyl)-2,3-dihydro-1H-1,3-benzodiazol-5-yl]-4-propoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C301-9127
N-[1,3-diethyl-2-oxo-6-(phenylsulfanyl)-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

C301-9127

Molecular Formula

C27H29N3O3S (C27 H29 N3 O3 S)

Compound Name

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

IUPAC name

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

SMILES

CCCOc(cc1)ccc1C(Nc(cc(c(N1CC)c2)N(CC)C1=O)c2Sc1ccccc1)=O

InChI

InChI=1S/C27H29N3O3S/c1-4-16-33-20-14-12-19(13-15-20)26(31)28-22-17-23-24(30(6-3)27(32)29(23)5-2)18-25(22)34-21-10-8-7-9-11-21/h7-15,17-18H,4-6,16H2,1-3H3,(H,28,31)

InChI Key

MSNRMKJEMJLGQY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD26964067

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

475.61

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

6.687

Distribution Coefficient, logD

6.687

Water Solubility, LogSw

-5.60

Polar Surface Area

47.381

Acid Dissociation Constant (pKa)

11.70

Base Dissociation Constant (pKb)

-0.93

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.90

C301-9127 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with C301-9127 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C301-9127?
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What is the minimum amount of C301-9127 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C301-9127
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C301-9127
  • 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 C301-9127 available by request