D661-0101 Screening compound: ({3-ethoxy-4-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)oxy]phenyl}methyl)(3-methylbutyl)amine

D661-0101 Screening compound: ({3-ethoxy-4-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)oxy]phenyl}methyl)(3-methylbutyl)amine
D661-0101 Screening compound: ({3-ethoxy-4-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)oxy]phenyl}methyl)(3-methylbutyl)amine alternative view

Chemical Structure Depiction of ChemDiv screening compound D661-0101
({3-ethoxy-4-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)oxy]phenyl}methyl)(3-methylbutyl)amine

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

D661-0101

Molecular Formula

C21H27N5O2 (C21 H27 N5 O2)

Compound Name

({3-ethoxy-4-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)oxy]phenyl}methyl)(3-methylbutyl)amine

IUPAC name

({3-ethoxy-4-[(1-phenyl-1H-1234-tetrazol-5-yl)oxy]phenyl}methyl)(3-methylbutyl)amine

SMILES

CCOc(cc(CNCCC(C)C)cc1)c1Oc1nnnn1-c1ccccc1

InChI

InChI=1S/C21H27N5O2/c1-4-27-20-14-17(15-22-13-12-16(2)3)10-11-19(20)28-21-23-24-25-26(21)18-8-6-5-7-9-18/h5-11,14,16,22H,4,12-13,15H2,1-3H3

InChI Key

GUEXVWBKMMEUFP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09690483

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

381.48

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.505

Distribution Coefficient, logD

-0.092

Water Solubility, LogSw

-3.75

Polar Surface Area

65.802

Acid Dissociation Constant (pKa)

26.26

Base Dissociation Constant (pKb)

11.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.10

References: we are preparing a list of scientific research reports with D661-0101 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D661-0101?
Check Price and Availability of D661-0101, 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 D661-0101 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D661-0101
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D661-0101
  • 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 D661-0101 available by request