8015-0212 Screening compound: 5,5-dimethyl-2-(1-{[2-(2-methyl-1H-indol-3-yl)ethyl]amino}butylidene)cyclohexane-1,3-dione

8015-0212 Screening compound: 5,5-dimethyl-2-(1-{[2-(2-methyl-1H-indol-3-yl)ethyl]amino}butylidene)cyclohexane-1,3-dione
8015-0212 Screening compound: 5,5-dimethyl-2-(1-{[2-(2-methyl-1H-indol-3-yl)ethyl]amino}butylidene)cyclohexane-1,3-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8015-0212
5,5-dimethyl-2-(1-{[2-(2-methyl-1H-indol-3-yl)ethyl]amino}butylidene)cyclohexane-1,3-dione

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

8015-0212

Molecular Formula

C23H30N2O2 (C23 H30 N2 O2)

Compound Name

5,5-dimethyl-2-(1-{[2-(2-methyl-1H-indol-3-yl)ethyl]amino}butylidene)cyclohexane-1,3-dione

IUPAC name

55-dimethyl-2-(1-{[2-(2-methyl-1H-indol-3-yl)ethyl]amino}butylidene)cyclohexane-13-dione

SMILES

CCCC(NCCc1c(C)[nH]c2c1cccc2)=C(C(CC(C)(C)C1)=O)C1=O

InChI

InChI=1S/C23H30N2O2/c1-5-8-19(22-20(26)13-23(3,4)14-21(22)27)24-12-11-16-15(2)25-18-10-7-6-9-17(16)18/h6-7,9-10,24-25H,5,8,11-14H2,1-4H3

InChI Key

SCTGTJKNYAIENL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03821750

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

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.151

Distribution Coefficient, logD

4.120

Water Solubility, LogSw

-4.24

Polar Surface Area

48.433

Acid Dissociation Constant (pKa)

8.53

Base Dissociation Constant (pKb)

5.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.80

References: we are preparing a list of scientific research reports with 8015-0212 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8015-0212?
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What is the minimum amount of 8015-0212 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8015-0212
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8015-0212
  • 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 8015-0212 available by request