3347-1261 Screening compound: 1-[(3,5-dimethylphenyl)amino]-3-(4-{3-[(3,5-dimethylphenyl)amino]-2-hydroxypropoxy}phenoxy)propan-2-ol

3347-1261 Screening compound: 1-[(3,5-dimethylphenyl)amino]-3-(4-{3-[(3,5-dimethylphenyl)amino]-2-hydroxypropoxy}phenoxy)propan-2-ol
3347-1261 Screening compound: 1-[(3,5-dimethylphenyl)amino]-3-(4-{3-[(3,5-dimethylphenyl)amino]-2-hydroxypropoxy}phenoxy)propan-2-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound 3347-1261
1-[(3,5-dimethylphenyl)amino]-3-(4-{3-[(3,5-dimethylphenyl)amino]-2-hydroxypropoxy}phenoxy)propan-2-ol

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

3347-1261

Molecular Formula

C28H36N2O4 (C28 H36 N2 O4)

Compound Name

1-[(3,5-dimethylphenyl)amino]-3-(4-{3-[(3,5-dimethylphenyl)amino]-2-hydroxypropoxy}phenoxy)propan-2-ol

IUPAC name

1-[(35-dimethylphenyl)amino]-3-(4-{3-[(35-dimethylphenyl)amino]-2-hydroxypropoxy}phenoxy)propan-2-ol

SMILES

Cc1cc(NCC(COc(cc2)ccc2OCC(CNc2cc(C)cc(C)c2)O)O)cc(C)c1

InChI

InChI=1S/C28H36N2O4/c1-19-9-20(2)12-23(11-19)29-15-25(31)17-33-27-5-7-28(8-6-27)34-18-26(32)16-30-24-13-21(3)10-22(4)14-24/h5-14,25-26,29-32H,15-18H2,1-4H3

InChI Key

LNRBHYJEHXCXMF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01143332

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

464.6

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.110

Distribution Coefficient, logD

5.110

Water Solubility, LogSw

-5.04

Polar Surface Area

68.945

Acid Dissociation Constant (pKa)

16.48

Base Dissociation Constant (pKb)

3.39

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

35.70

References: we are preparing a list of scientific research reports with 3347-1261 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3347-1261?
Check Price and Availability of 3347-1261, 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 3347-1261 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3347-1261
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3347-1261
  • 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 3347-1261 available by request