M343-1039 Screening compound: 3-[2-oxo-2-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethyl]-1-(propan-2-yl)-5-(pyrrolidine-1-sulfonyl)-2,3-dihydro-1H-1,3-benzodiazol-2-one

M343-1039 Screening compound: 3-[2-oxo-2-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethyl]-1-(propan-2-yl)-5-(pyrrolidine-1-sulfonyl)-2,3-dihydro-1H-1,3-benzodiazol-2-one
M343-1039 Screening compound: 3-[2-oxo-2-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethyl]-1-(propan-2-yl)-5-(pyrrolidine-1-sulfonyl)-2,3-dihydro-1H-1,3-benzodiazol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound M343-1039
3-[2-oxo-2-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethyl]-1-(propan-2-yl)-5-(pyrrolidine-1-sulfonyl)-2,3-dihydro-1H-1,3-benzodiazol-2-one

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

M343-1039

Molecular Formula

C25H30N4O4S (C25 H30 N4 O4 S)

Compound Name

3-[2-oxo-2-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethyl]-1-(propan-2-yl)-5-(pyrrolidine-1-sulfonyl)-2,3-dihydro-1H-1,3-benzodiazol-2-one

IUPAC name

3-[2-oxo-2-(1234-tetrahydroisoquinolin-2-yl)ethyl]-1-(propan-2-yl)-5-(pyrrolidine-1-sulfonyl)-23-dihydro-1H-13-benzodiazol-2-one

SMILES

CC(C)N(c(ccc(S(N1CCCC1)(=O)=O)c1)c1N1CC(N(CC2)Cc3c2cccc3)=O)C1=O

InChI

InChI=1S/C25H30N4O4S/c1-18(2)29-22-10-9-21(34(32,33)27-12-5-6-13-27)15-23(22)28(25(29)31)17-24(30)26-14-11-19-7-3-4-8-20(19)16-26/h3-4,7-10,15,18H,5-6,11-14,16-17H2,1-2H3

InChI Key

ARPAMXOEMQXGGQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27537597

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

482.6

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.489

Distribution Coefficient, logD

3.489

Water Solubility, LogSw

-3.92

Polar Surface Area

65.972

Acid Dissociation Constant (pKa)

21.01

Base Dissociation Constant (pKb)

-1.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.00

M343-1039 in Drug Discovery

Included in Screening Libraries

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

Hsp90-Targeted Library (11355 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Immune system

References: we are preparing a list of scientific research reports with M343-1039 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M343-1039?
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What is the minimum amount of M343-1039 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M343-1039
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M343-1039
  • 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 M343-1039 available by request