D660-0169 Screening compound: N,N-dimethyl-4-[({2-[(1-methyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]ethyl}amino)methyl]aniline

D660-0169 Screening compound: N,N-dimethyl-4-[({2-[(1-methyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]ethyl}amino)methyl]aniline
D660-0169 Screening compound: N,N-dimethyl-4-[({2-[(1-methyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]ethyl}amino)methyl]aniline alternative view

Chemical Structure Depiction of ChemDiv screening compound D660-0169
N,N-dimethyl-4-[({2-[(1-methyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]ethyl}amino)methyl]aniline

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

D660-0169

Molecular Formula

C13H20N6S (C13 H20 N6 S)

Compound Name

N,N-dimethyl-4-[({2-[(1-methyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]ethyl}amino)methyl]aniline

IUPAC name

NN-dimethyl-4-[({2-[(1-methyl-1H-1234-tetrazol-5-yl)sulfanyl]ethyl}amino)methyl]aniline

SMILES

CN(C)c1ccc(CNCCSc2nnnn2C)cc1

InChI

InChI=1S/C13H20N6S/c1-18(2)12-6-4-11(5-7-12)10-14-8-9-20-13-15-16-17-19(13)3/h4-7,14H,8-10H2,1-3H3

InChI Key

BJCSOZSFDBPJCS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07411630

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

292.41

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.953

Distribution Coefficient, logD

-2.087

Water Solubility, LogSw

-1.51

Polar Surface Area

54.994

Acid Dissociation Constant (pKa)

25.04

Base Dissociation Constant (pKb)

10.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

46.20

References: we are preparing a list of scientific research reports with D660-0169 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D660-0169?
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What is the minimum amount of D660-0169 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D660-0169
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D660-0169
  • 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 D660-0169 available by request