C589-0059 Screening compound: 1-(4-butylphenyl)-6,6-dimethyl-2-(4-methylphenyl)-4,5,6,7-tetrahydro-1H-indol-4-one

C589-0059 Screening compound: 1-(4-butylphenyl)-6,6-dimethyl-2-(4-methylphenyl)-4,5,6,7-tetrahydro-1H-indol-4-one
C589-0059 Screening compound: 1-(4-butylphenyl)-6,6-dimethyl-2-(4-methylphenyl)-4,5,6,7-tetrahydro-1H-indol-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C589-0059
1-(4-butylphenyl)-6,6-dimethyl-2-(4-methylphenyl)-4,5,6,7-tetrahydro-1H-indol-4-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

C589-0059

Molecular Formula

C27H31NO (C27 H31 NO)

Compound Name

1-(4-butylphenyl)-6,6-dimethyl-2-(4-methylphenyl)-4,5,6,7-tetrahydro-1H-indol-4-one

IUPAC name

1-(4-butylphenyl)-66-dimethyl-2-(4-methylphenyl)-4567-tetrahydro-1H-indol-4-one

SMILES

CCCCc(cc1)ccc1-n1c(-c2ccc(C)cc2)cc2c1CC(C)(C)CC2=O

InChI

InChI=1S/C27H31NO/c1-5-6-7-20-10-14-22(15-11-20)28-24(21-12-8-19(2)9-13-21)16-23-25(28)17-27(3,4)18-26(23)29/h8-16H,5-7,17-18H2,1-4H3

InChI Key

FHWMBROOBBSYHQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14773056

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

385.55

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

7.734

Distribution Coefficient, logD

7.734

Water Solubility, LogSw

-5.68

Polar Surface Area

14.814

Acid Dissociation Constant (pKa)

22.12

Base Dissociation Constant (pKb)

-1.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.00

C589-0059 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C589-0059 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C589-0059?
Check Price and Availability of C589-0059, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of C589-0059 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C589-0059
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C589-0059
  • 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 C589-0059 available by request