2512-1666 Screening compound: 2,6-di-tert-butyl-4-{[4-(dimethylamino)phenyl](morpholin-4-yl)methyl}phenol

2512-1666 Screening compound: 2,6-di-tert-butyl-4-{[4-(dimethylamino)phenyl](morpholin-4-yl)methyl}phenol
2512-1666 Screening compound: 2,6-di-tert-butyl-4-{[4-(dimethylamino)phenyl](morpholin-4-yl)methyl}phenol alternative view

Chemical Structure Depiction of ChemDiv screening compound 2512-1666
2,6-di-tert-butyl-4-{[4-(dimethylamino)phenyl](morpholin-4-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

2512-1666

Molecular Formula

C27H40N2O2 (C27 H40 N2 O2)

Compound Name

2,6-di-tert-butyl-4-{[4-(dimethylamino)phenyl](morpholin-4-yl)methyl}phenol

IUPAC name

26-di-tert-butyl-4-{[4-(dimethylamino)phenyl](morpholin-4-yl)methyl}phenol

SMILES

CC(C)(C)c1cc(C(c(cc2)ccc2N(C)C)N2CCOCC2)cc(C(C)(C)C)c1O

InChI

InChI=1S/C27H40N2O2/c1-26(2,3)22-17-20(18-23(25(22)30)27(4,5)6)24(29-13-15-31-16-14-29)19-9-11-21(12-10-19)28(7)8/h9-12,17-18,24,30H,13-16H2,1-8H3/t24-/m0/s1

InChI Key

XXYCFYHVQMQCTD-DEOSSOPVSA-N

MDL Number (MFCD)

MFCD01464905

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

424.63

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.079

Distribution Coefficient, logD

3.268

Water Solubility, LogSw

-5.45

Polar Surface Area

29.184

Acid Dissociation Constant (pKa)

10.87

Base Dissociation Constant (pKb)

10.21

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

55.60

2512-1666 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 2512-1666 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2512-1666?
Check Price and Availability of 2512-1666, 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 2512-1666 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2512-1666
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2512-1666
  • 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 2512-1666 available by request