8014-7388 Screening compound: 5-bromo-1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-1H-indole-3-carbaldehyde

8014-7388 Screening compound: 5-bromo-1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-1H-indole-3-carbaldehyde
8014-7388 Screening compound: 5-bromo-1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-1H-indole-3-carbaldehyde alternative view

Chemical Structure Depiction of ChemDiv screening compound 8014-7388
5-bromo-1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-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

8014-7388

Molecular Formula

C17H19BrN2O2 (C17 H19 BrN2 O2)

Compound Name

5-bromo-1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-1H-indole-3-carbaldehyde

IUPAC name

5-bromo-1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-1H-indole-3-carbaldehyde

SMILES

CC(CC1)CCN1C(Cn1c(ccc(Br)c2)c2c(C=O)c1)=O

InChI

InChI=1S/C17H19BrN2O2/c1-12-4-6-19(7-5-12)17(22)10-20-9-13(11-21)15-8-14(18)2-3-16(15)20/h2-3,8-9,11-12H,4-7,10H2,1H3

InChI Key

VYOARTKMXMFJBD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03445197

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

3.045

Distribution Coefficient, logD

3.045

Water Solubility, LogSw

-3.06

Polar Surface Area

32.522

Acid Dissociation Constant (pKa)

23.10

Base Dissociation Constant (pKb)

3.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.20

8014-7388 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 8014-7388 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8014-7388?
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What is the minimum amount of 8014-7388 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8014-7388
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8014-7388
  • 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 8014-7388 available by request