3260-0177 Screening compound: butyl 2-(2-imino-3-propyl-2,3-dihydro-1H-1,3-benzodiazol-1-yl)acetate

3260-0177 Screening compound: butyl 2-(2-imino-3-propyl-2,3-dihydro-1H-1,3-benzodiazol-1-yl)acetate
3260-0177 Screening compound: butyl 2-(2-imino-3-propyl-2,3-dihydro-1H-1,3-benzodiazol-1-yl)acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3260-0177
butyl 2-(2-imino-3-propyl-2,3-dihydro-1H-1,3-benzodiazol-1-yl)acetate

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

3260-0177

Molecular Formula

C16H23N3O2 (C16 H23 N3 O2)

Compound Name

butyl 2-(2-imino-3-propyl-2,3-dihydro-1H-1,3-benzodiazol-1-yl)acetate

IUPAC name

butyl 2-(2-imino-3-propyl-23-dihydro-1H-13-benzodiazol-1-yl)acetate

SMILES

CCCCOC(CN(c(cccc1)c1N1CCC)C1=N)=O

InChI

InChI=1S/C16H23N3O2/c1-3-5-11-21-15(20)12-19-14-9-7-6-8-13(14)18(10-4-2)16(19)17/h6-9,17H,3-5,10-12H2,1-2H3

InChI Key

GORUZCVPPYPLIX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02053227

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

289.38

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.351

Distribution Coefficient, logD

2.972

Water Solubility, LogSw

-3.50

Polar Surface Area

42.557

Acid Dissociation Constant (pKa)

24.40

Base Dissociation Constant (pKb)

7.54

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

3260-0177 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
Structure:
  • Pool

References: we are preparing a list of scientific research reports with 3260-0177 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3260-0177?
Check Price and Availability of 3260-0177, 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 3260-0177 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3260-0177
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3260-0177
  • 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 3260-0177 available by request