D661-0126 Screening compound: 2-[({3-ethoxy-4-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)oxy]phenyl}methyl)amino]-1-phenylethan-1-ol

D661-0126 Screening compound: 2-[({3-ethoxy-4-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)oxy]phenyl}methyl)amino]-1-phenylethan-1-ol
D661-0126 Screening compound: 2-[({3-ethoxy-4-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)oxy]phenyl}methyl)amino]-1-phenylethan-1-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound D661-0126
2-[({3-ethoxy-4-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)oxy]phenyl}methyl)amino]-1-phenylethan-1-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

D661-0126

Molecular Formula

C24H25N5O3 (C24 H25 N5 O3)

Compound Name

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

IUPAC name

2-[({3-ethoxy-4-[(1-phenyl-1H-1234-tetrazol-5-yl)oxy]phenyl}methyl)amino]-1-phenylethan-1-ol

SMILES

CCOc(cc(CNCC(c1ccccc1)O)cc1)c1Oc1nnnn1-c1ccccc1

InChI

InChI=1S/C24H25N5O3/c1-2-31-23-15-18(16-25-17-21(30)19-9-5-3-6-10-19)13-14-22(23)32-24-26-27-28-29(24)20-11-7-4-8-12-20/h3-15,21,25,30H,2,16-17H2,1H3/t21-/m0/s1

InChI Key

KXWNFKZXOZMYDP-NRFANRHFSA-N

MDL Number (MFCD)

MFCD09691586

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

431.49

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.078

Distribution Coefficient, logD

1.175

Water Solubility, LogSw

-3.19

Polar Surface Area

81.841

Acid Dissociation Constant (pKa)

14.39

Base Dissociation Constant (pKb)

9.30

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.80

D661-0126 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Agro:
  • Agro

References: we are preparing a list of scientific research reports with D661-0126 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D661-0126?
Check Price and Availability of D661-0126, 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 D661-0126 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D661-0126
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D661-0126
  • 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 D661-0126 available by request