D661-0013 Screening compound: ({3-methoxy-4-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)oxy]phenyl}methyl)[(thiophen-2-yl)methyl]amine

D661-0013 Screening compound: ({3-methoxy-4-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)oxy]phenyl}methyl)[(thiophen-2-yl)methyl]amine
D661-0013 Screening compound: ({3-methoxy-4-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)oxy]phenyl}methyl)[(thiophen-2-yl)methyl]amine alternative view

Chemical Structure Depiction of ChemDiv screening compound D661-0013
({3-methoxy-4-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)oxy]phenyl}methyl)[(thiophen-2-yl)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

D661-0013

Molecular Formula

C20H19N5O2S (C20 H19 N5 O2 S)

Compound Name

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

IUPAC name

({3-methoxy-4-[(1-phenyl-1H-1234-tetrazol-5-yl)oxy]phenyl}methyl)[(thiophen-2-yl)methyl]amine

SMILES

COc(cc(CNCc1cccs1)cc1)c1Oc1nnnn1-c1ccccc1

InChI

InChI=1S/C20H19N5O2S/c1-26-19-12-15(13-21-14-17-8-5-11-28-17)9-10-18(19)27-20-22-23-24-25(20)16-6-3-2-4-7-16/h2-12,21H,13-14H2,1H3

InChI Key

BTWJZMYVCOWEMV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08685089

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

393.47

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.309

Distribution Coefficient, logD

0.967

Water Solubility, LogSw

-3.70

Polar Surface Area

67.128

Acid Dissociation Constant (pKa)

25.75

Base Dissociation Constant (pKb)

9.74

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

D661-0013 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D661-0013 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D661-0013?
Check Price and Availability of D661-0013, 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 D661-0013 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D661-0013
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D661-0013
  • 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 D661-0013 available by request