5227-4368 Screening compound: 2,6-di-tert-butyl-4-{[4-(dimethylamino)phenyl](2-methyl-1H-indol-3-yl)methyl}phenol

5227-4368 Screening compound: 2,6-di-tert-butyl-4-{[4-(dimethylamino)phenyl](2-methyl-1H-indol-3-yl)methyl}phenol
5227-4368 Screening compound: 2,6-di-tert-butyl-4-{[4-(dimethylamino)phenyl](2-methyl-1H-indol-3-yl)methyl}phenol alternative view

Chemical Structure Depiction of ChemDiv screening compound 5227-4368
2,6-di-tert-butyl-4-{[4-(dimethylamino)phenyl](2-methyl-1H-indol-3-yl)methyl}phenol

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

5227-4368

Molecular Formula

C32H40N2O (C32 H40 N2 O)

Compound Name

2,6-di-tert-butyl-4-{[4-(dimethylamino)phenyl](2-methyl-1H-indol-3-yl)methyl}phenol

IUPAC name

26-di-tert-butyl-4-{[4-(dimethylamino)phenyl](2-methyl-1H-indol-3-yl)methyl}phenol

SMILES

CC(C)(C)c1cc(C(c2c(C)[nH]c3c2cccc3)c(cc2)ccc2N(C)C)cc(C(C)(C)C)c1O

InChI

InChI=1S/C32H40N2O/c1-20-28(24-12-10-11-13-27(24)33-20)29(21-14-16-23(17-15-21)34(8)9)22-18-25(31(2,3)4)30(35)26(19-22)32(5,6)7/h10-19,29,33,35H,1-9H3/t29-/m0/s1

InChI Key

RZGFIQUDMYCAKL-LJAQVGFWSA-N

MDL Number (MFCD)

MFCD04429852

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

468.68

Hydrogen Bond Acceptors Count

1.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

8.469

Distribution Coefficient, logD

8.462

Water Solubility, LogSw

-6.10

Polar Surface Area

27.905

Acid Dissociation Constant (pKa)

10.69

Base Dissociation Constant (pKb)

8.90

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

37.50

References: we are preparing a list of scientific research reports with 5227-4368 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5227-4368?
Check Price and Availability of 5227-4368, 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 5227-4368 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5227-4368
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5227-4368
  • 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 5227-4368 available by request