3683-0577 Screening compound: 4-({[(4-methoxyphenyl)methyl]amino}methyl)-2,2-dimethyloxan-4-ol

3683-0577 Screening compound: 4-({[(4-methoxyphenyl)methyl]amino}methyl)-2,2-dimethyloxan-4-ol
3683-0577 Screening compound: 4-({[(4-methoxyphenyl)methyl]amino}methyl)-2,2-dimethyloxan-4-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound 3683-0577
4-({[(4-methoxyphenyl)methyl]amino}methyl)-2,2-dimethyloxan-4-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

3683-0577

Molecular Formula

C16H25NO3 (C16 H25 NO3)

Compound Name

4-({[(4-methoxyphenyl)methyl]amino}methyl)-2,2-dimethyloxan-4-ol

IUPAC name

4-({[(4-methoxyphenyl)methyl]amino}methyl)-22-dimethyloxan-4-ol

SMILES

CC(C)(C1)OCCC1(CNCc(cc1)ccc1OC)O

InChI

InChI=1S/C16H25NO3/c1-15(2)11-16(18,8-9-20-15)12-17-10-13-4-6-14(19-3)7-5-13/h4-7,17-18H,8-12H2,1-3H3/t16-/m0/s1

InChI Key

TXFYGXYPZMJMCH-INIZCTEOSA-N

MDL Number (MFCD)

MFCD01821181

Chemical and Physical Properties

Saltdata

2HCOOH

Molecular Weight

279.38

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.919

Distribution Coefficient, logD

1.372

Water Solubility, LogSw

-1.99

Polar Surface Area

42.512

Acid Dissociation Constant (pKa)

14.64

Base Dissociation Constant (pKb)

7.80

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

62.50

3683-0577 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

Soluble Diversity Library (15920 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with 3683-0577 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3683-0577?
Check Price and Availability of 3683-0577, 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 3683-0577 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3683-0577
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3683-0577
  • 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 3683-0577 available by request