3945-0095 Screening compound: 5-(dimethylcarbamoyl)-1,3-diethyl-2-methyl-1H-1,3-benzodiazol-3-ium

3945-0095 Screening compound: 5-(dimethylcarbamoyl)-1,3-diethyl-2-methyl-1H-1,3-benzodiazol-3-ium
3945-0095 Screening compound: 5-(dimethylcarbamoyl)-1,3-diethyl-2-methyl-1H-1,3-benzodiazol-3-ium alternative view

Chemical Structure Depiction of ChemDiv screening compound 3945-0095
5-(dimethylcarbamoyl)-1,3-diethyl-2-methyl-1H-1,3-benzodiazol-3-ium

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

3945-0095

Molecular Formula

C15H22N3O (C15 H22 N3 O)

Compound Name

5-(dimethylcarbamoyl)-1,3-diethyl-2-methyl-1H-1,3-benzodiazol-3-ium

IUPAC name

5-(dimethylcarbamoyl)-13-diethyl-2-methyl-1H-13-benzodiazol-3-ium

SMILES

CCn1c(ccc(C(N(C)C)=O)c2)c2[n+](CC)c1C

InChI

InChI=1S/C15H22N3O/c1-6-17-11(3)18(7-2)14-10-12(8-9-13(14)17)15(19)16(4)5/h8-10H,6-7H2,1-5H3/q+1

InChI Key

PZTUVQBWRDAPTB-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

I-

Molecular Weight

260.36

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.504

Distribution Coefficient, logD

1.504

Water Solubility, LogSw

-1.98

Polar Surface Area

19.564

Acid Dissociation Constant (pKa)

27.06

Base Dissociation Constant (pKb)

-0.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

46.70

References: we are preparing a list of scientific research reports with 3945-0095 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3945-0095?
Check Price and Availability of 3945-0095, 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 3945-0095 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3945-0095
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3945-0095
  • 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 3945-0095 available by request