C301-8971 Screening compound: N-[1,3-dimethyl-2-oxo-6-(phenylsulfanyl)-2,3-dihydro-1H-1,3-benzodiazol-5-yl]-4-propoxybenzamide

C301-8971 Screening compound: N-[1,3-dimethyl-2-oxo-6-(phenylsulfanyl)-2,3-dihydro-1H-1,3-benzodiazol-5-yl]-4-propoxybenzamide
C301-8971 Screening compound: N-[1,3-dimethyl-2-oxo-6-(phenylsulfanyl)-2,3-dihydro-1H-1,3-benzodiazol-5-yl]-4-propoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C301-8971
N-[1,3-dimethyl-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

C301-8971

Molecular Formula

C25H25N3O3S (C25 H25 N3 O3 S)

Compound Name

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

IUPAC name

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

SMILES

CCCOc(cc1)ccc1C(Nc(cc(c(N1C)c2)N(C)C1=O)c2Sc1ccccc1)=O

InChI

InChI=1S/C25H25N3O3S/c1-4-14-31-18-12-10-17(11-13-18)24(29)26-20-15-21-22(28(3)25(30)27(21)2)16-23(20)32-19-8-6-5-7-9-19/h5-13,15-16H,4,14H2,1-3H3,(H,26,29)

InChI Key

IMUZGAXISMQKEW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD26964011

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

447.56

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.659

Distribution Coefficient, logD

5.659

Water Solubility, LogSw

-5.41

Polar Surface Area

47.463

Acid Dissociation Constant (pKa)

11.70

Base Dissociation Constant (pKb)

-2.45

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

C301-8971 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Targeted Diversity Library (40567 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with C301-8971 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C301-8971?
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What is the minimum amount of C301-8971 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C301-8971
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C301-8971
  • 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 C301-8971 available by request