1069-0078 Screening compound: {2-[(5,6-dimethyl-1H-1,3-benzodiazol-2-yl)sulfanyl]ethyl}diethylamine

1069-0078 Screening compound: {2-[(5,6-dimethyl-1H-1,3-benzodiazol-2-yl)sulfanyl]ethyl}diethylamine
1069-0078 Screening compound: {2-[(5,6-dimethyl-1H-1,3-benzodiazol-2-yl)sulfanyl]ethyl}diethylamine alternative view

Chemical Structure Depiction of ChemDiv screening compound 1069-0078
{2-[(5,6-dimethyl-1H-1,3-benzodiazol-2-yl)sulfanyl]ethyl}diethylamine

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

1069-0078

Molecular Formula

C15H23N3S (C15 H23 N3 S)

Compound Name

{2-[(5,6-dimethyl-1H-1,3-benzodiazol-2-yl)sulfanyl]ethyl}diethylamine

IUPAC name

{2-[(56-dimethyl-1H-13-benzodiazol-2-yl)sulfanyl]ethyl}diethylamine

SMILES

CCN(CC)CCSc1nc(cc(C)c(C)c2)c2[nH]1

InChI

InChI=1S/C15H23N3S/c1-5-18(6-2)7-8-19-15-16-13-9-11(3)12(4)10-14(13)17-15/h9-10H,5-8H2,1-4H3,(H,16,17)

InChI Key

DAMNKJWLMGZOLS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00994288

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

277.43

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.779

Distribution Coefficient, logD

1.636

Water Solubility, LogSw

-3.81

Polar Surface Area

21.663

Acid Dissociation Constant (pKa)

14.42

Base Dissociation Constant (pKb)

9.54

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

53.30

1069-0078 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 1069-0078 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1069-0078?
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What is the minimum amount of 1069-0078 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1069-0078
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1069-0078
  • 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 1069-0078 available by request