J031-2333 Screening compound: 2-(3-acetyl-2-methyl-1H-indol-1-yl)-N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methylpropyl]acetamide

J031-2333 Screening compound: 2-(3-acetyl-2-methyl-1H-indol-1-yl)-N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methylpropyl]acetamide
J031-2333 Screening compound: 2-(3-acetyl-2-methyl-1H-indol-1-yl)-N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methylpropyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J031-2333
2-(3-acetyl-2-methyl-1H-indol-1-yl)-N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methylpropyl]acetamide

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

J031-2333

Molecular Formula

C26H30N2O4 (C26 H30 N2 O4)

Compound Name

2-(3-acetyl-2-methyl-1H-indol-1-yl)-N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methylpropyl]acetamide

IUPAC name

2-(3-acetyl-2-methyl-1H-indol-1-yl)-N-[1-(34-dihydro-2H-15-benzodioxepin-7-yl)-2-methylpropyl]acetamide

SMILES

CC(C)C(c(cc1)cc2c1OCCCO2)NC(Cn1c(cccc2)c2c(C(C)=O)c1C)=O

InChI

InChI=1S/C26H30N2O4/c1-16(2)26(19-10-11-22-23(14-19)32-13-7-12-31-22)27-24(30)15-28-17(3)25(18(4)29)20-8-5-6-9-21(20)28/h5-6,8-11,14,16,26H,7,12-13,15H2,1-4H3,(H,27,30)/t26-/m0/s1

InChI Key

PBAPEDYHYDLLLC-SANMLTNESA-N

MDL Number (MFCD)

MFCD27221316

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

434.54

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.804

Distribution Coefficient, logD

3.804

Water Solubility, LogSw

-4.22

Polar Surface Area

55.243

Acid Dissociation Constant (pKa)

14.97

Base Dissociation Constant (pKb)

1.06

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.50

J031-2333 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Anti-Inflammatory Library (24602 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Immune system
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with J031-2333 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J031-2333?
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What is the minimum amount of J031-2333 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J031-2333
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J031-2333
  • 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 J031-2333 available by request