8014-7381 Screening compound: 1-[2-(azepan-1-yl)-2-oxoethyl]-5-bromo-1H-indole-3-carbaldehyde

8014-7381 Screening compound: 1-[2-(azepan-1-yl)-2-oxoethyl]-5-bromo-1H-indole-3-carbaldehyde
8014-7381 Screening compound: 1-[2-(azepan-1-yl)-2-oxoethyl]-5-bromo-1H-indole-3-carbaldehyde alternative view

Chemical Structure Depiction of ChemDiv screening compound 8014-7381
1-[2-(azepan-1-yl)-2-oxoethyl]-5-bromo-1H-indole-3-carbaldehyde

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

8014-7381

Molecular Formula

C17H19BrN2O2 (C17 H19 BrN2 O2)

Compound Name

1-[2-(azepan-1-yl)-2-oxoethyl]-5-bromo-1H-indole-3-carbaldehyde

IUPAC name

1-[2-(azepan-1-yl)-2-oxoethyl]-5-bromo-1H-indole-3-carbaldehyde

SMILES

O=Cc1cn(CC(N2CCCCCC2)=O)c(cc2)c1cc2Br

InChI

InChI=1S/C17H19BrN2O2/c18-14-5-6-16-15(9-14)13(12-21)10-20(16)11-17(22)19-7-3-1-2-4-8-19/h5-6,9-10,12H,1-4,7-8,11H2

InChI Key

OECNCRNSOVZEAR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03272186

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

363.25

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.211

Distribution Coefficient, logD

3.211

Water Solubility, LogSw

-3.08

Polar Surface Area

32.853

Acid Dissociation Constant (pKa)

23.10

Base Dissociation Constant (pKb)

3.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.20

8014-7381 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 8014-7381 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8014-7381?
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What is the minimum amount of 8014-7381 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8014-7381
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8014-7381
  • 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 8014-7381 available by request