D660-0404 Screening compound: {2-[(1-methyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]ethyl}({5-[3-(trifluoromethyl)phenyl]furan-2-yl}methyl)amine

D660-0404 Screening compound: {2-[(1-methyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]ethyl}({5-[3-(trifluoromethyl)phenyl]furan-2-yl}methyl)amine
D660-0404 Screening compound: {2-[(1-methyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]ethyl}({5-[3-(trifluoromethyl)phenyl]furan-2-yl}methyl)amine alternative view

Chemical Structure Depiction of ChemDiv screening compound D660-0404
{2-[(1-methyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]ethyl}({5-[3-(trifluoromethyl)phenyl]furan-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

D660-0404

Molecular Formula

C16H16F3N5OS (C16 H16 F3 N5 OS)

Compound Name

{2-[(1-methyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]ethyl}({5-[3-(trifluoromethyl)phenyl]furan-2-yl}methyl)amine

IUPAC name

{2-[(1-methyl-1H-1234-tetrazol-5-yl)sulfanyl]ethyl}({5-[3-(trifluoromethyl)phenyl]furan-2-yl}methyl)amine

SMILES

Cn1nnnc1SCCNCc1ccc(-c2cc(C(F)(F)F)ccc2)o1

InChI

InChI=1S/C16H16F3N5OS/c1-24-15(21-22-23-24)26-8-7-20-10-13-5-6-14(25-13)11-3-2-4-12(9-11)16(17,18)19/h2-6,9,20H,7-8,10H2,1H3

InChI Key

AXNLXIWVDUEUCH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08544629

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

383.4

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.845

Distribution Coefficient, logD

0.839

Water Solubility, LogSw

-3.38

Polar Surface Area

59.759

Acid Dissociation Constant (pKa)

25.04

Base Dissociation Constant (pKb)

9.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.30

References: we are preparing a list of scientific research reports with D660-0404 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D660-0404?
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What is the minimum amount of D660-0404 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D660-0404
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D660-0404
  • 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 D660-0404 available by request