6738-0142 Screening compound: 1-[2-(diethylamino)ethyl]-N-[(thiophen-2-yl)methyl]-1H-1,3-benzodiazol-2-amine

6738-0142 Screening compound: 1-[2-(diethylamino)ethyl]-N-[(thiophen-2-yl)methyl]-1H-1,3-benzodiazol-2-amine
6738-0142 Screening compound: 1-[2-(diethylamino)ethyl]-N-[(thiophen-2-yl)methyl]-1H-1,3-benzodiazol-2-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 6738-0142
1-[2-(diethylamino)ethyl]-N-[(thiophen-2-yl)methyl]-1H-1,3-benzodiazol-2-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

6738-0142

Molecular Formula

C18H24N4S (C18 H24 N4 S)

Compound Name

1-[2-(diethylamino)ethyl]-N-[(thiophen-2-yl)methyl]-1H-1,3-benzodiazol-2-amine

IUPAC name

1-[2-(diethylamino)ethyl]-N-[(thiophen-2-yl)methyl]-1H-13-benzodiazol-2-amine

SMILES

CCN(CC)CCn1c(NCc2cccs2)nc2c1cccc2

InChI

InChI=1S/C18H24N4S/c1-3-21(4-2)11-12-22-17-10-6-5-9-16(17)20-18(22)19-14-15-8-7-13-23-15/h5-10,13H,3-4,11-12,14H2,1-2H3,(H,19,20)

InChI Key

HVVBHUJVAMEVSU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04029615

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

328.48

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.994

Distribution Coefficient, logD

1.635

Water Solubility, LogSw

-3.96

Polar Surface Area

26.989

Acid Dissociation Constant (pKa)

20.20

Base Dissociation Constant (pKb)

9.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.90

6738-0142 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

Human Transcription Factors Annotated Library (5098 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with 6738-0142 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6738-0142?
Check Price and Availability of 6738-0142, 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 6738-0142 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6738-0142
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6738-0142
  • 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 6738-0142 available by request