D661-0178 Screening compound: tert-butyl({4-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)oxy]phenyl}methyl)amine

D661-0178 Screening compound: tert-butyl({4-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)oxy]phenyl}methyl)amine
D661-0178 Screening compound: tert-butyl({4-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)oxy]phenyl}methyl)amine alternative view

Chemical Structure Depiction of ChemDiv screening compound D661-0178
tert-butyl({4-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)oxy]phenyl}methyl)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

D661-0178

Molecular Formula

C18H21N5O (C18 H21 N5 O)

Compound Name

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

IUPAC name

tert-butyl({4-[(1-phenyl-1H-1234-tetrazol-5-yl)oxy]phenyl}methyl)amine

SMILES

CC(C)(C)NCc(cc1)ccc1Oc1nnnn1-c1ccccc1

InChI

InChI=1S/C18H21N5O/c1-18(2,3)19-13-14-9-11-16(12-10-14)24-17-20-21-22-23(17)15-7-5-4-6-8-15/h4-12,19H,13H2,1-3H3

InChI Key

OFUBZEMPUGFWBP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD16496259

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

323.4

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.275

Distribution Coefficient, logD

0.702

Water Solubility, LogSw

-3.44

Polar Surface Area

57.279

Acid Dissociation Constant (pKa)

26.69

Base Dissociation Constant (pKb)

9.97

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.80

References: we are preparing a list of scientific research reports with D661-0178 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D661-0178?
Check Price and Availability of D661-0178, 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 D661-0178 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D661-0178
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D661-0178
  • 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 D661-0178 available by request