J031-1278 Screening compound: N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methylpropyl]-2-(3-formyl-1H-indol-1-yl)acetamide

J031-1278 Screening compound: N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methylpropyl]-2-(3-formyl-1H-indol-1-yl)acetamide
J031-1278 Screening compound: N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methylpropyl]-2-(3-formyl-1H-indol-1-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J031-1278
N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methylpropyl]-2-(3-formyl-1H-indol-1-yl)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

J031-1278

Molecular Formula

C24H26N2O4 (C24 H26 N2 O4)

Compound Name

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

IUPAC name

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

SMILES

CC(C)C(c(cc1)cc2c1OCCCO2)NC(Cn1c(cccc2)c2c(C=O)c1)=O

InChI

InChI=1S/C24H26N2O4/c1-16(2)24(17-8-9-21-22(12-17)30-11-5-10-29-21)25-23(28)14-26-13-18(15-27)19-6-3-4-7-20(19)26/h3-4,6-9,12-13,15-16,24H,5,10-11,14H2,1-2H3,(H,25,28)/t24-/m0/s1

InChI Key

POQAERJJRJEGET-DEOSSOPVSA-N

MDL Number (MFCD)

MFCD27220910

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

406.48

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

3.214

Distribution Coefficient, logD

3.214

Water Solubility, LogSw

-3.28

Polar Surface Area

56.108

Acid Dissociation Constant (pKa)

15.15

Base Dissociation Constant (pKb)

0.59

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

J031-1278 in Drug Discovery

Included in Screening Libraries

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with J031-1278 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J031-1278?
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What is the minimum amount of J031-1278 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J031-1278
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J031-1278
  • 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 J031-1278 available by request