8014-2412 Screening compound: 3-{[2-(2,5-dimethyl-1H-indol-3-yl)ethyl]amino}-2-pentanoylcyclohex-2-en-1-one

8014-2412 Screening compound: 3-{[2-(2,5-dimethyl-1H-indol-3-yl)ethyl]amino}-2-pentanoylcyclohex-2-en-1-one
8014-2412 Screening compound: 3-{[2-(2,5-dimethyl-1H-indol-3-yl)ethyl]amino}-2-pentanoylcyclohex-2-en-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8014-2412
3-{[2-(2,5-dimethyl-1H-indol-3-yl)ethyl]amino}-2-pentanoylcyclohex-2-en-1-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

8014-2412

Molecular Formula

C23H30N2O2 (C23 H30 N2 O2)

Compound Name

3-{[2-(2,5-dimethyl-1H-indol-3-yl)ethyl]amino}-2-pentanoylcyclohex-2-en-1-one

IUPAC name

3-{[2-(25-dimethyl-1H-indol-3-yl)ethyl]amino}-2-pentanoylcyclohex-2-en-1-one

SMILES

CCCCC(C(C(CCC1)=O)=C1NCCc1c(C)[nH]c2c1cc(C)cc2)=O

InChI

InChI=1S/C23H30N2O2/c1-4-5-8-21(26)23-20(7-6-9-22(23)27)24-13-12-17-16(3)25-19-11-10-15(2)14-18(17)19/h10-11,14,24-25H,4-9,12-13H2,1-3H3

InChI Key

BJYHJENMPUNAGK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03768336

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

366.5

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.597

Distribution Coefficient, logD

4.562

Water Solubility, LogSw

-4.40

Polar Surface Area

46.736

Acid Dissociation Constant (pKa)

8.47

Base Dissociation Constant (pKb)

2.85

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.80

8014-2412 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with 8014-2412 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8014-2412?
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What is the minimum amount of 8014-2412 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8014-2412
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8014-2412
  • 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 8014-2412 available by request