3260-0169 Screening compound: ethyl 2-[2-imino-3-(4-methylbenzyl)-2,3-dihydro-1H-1,3-benzimidazol-1-yl]acetate

3260-0169 Screening compound: ethyl 2-[2-imino-3-(4-methylbenzyl)-2,3-dihydro-1H-1,3-benzimidazol-1-yl]acetate
3260-0169 Screening compound: ethyl 2-[2-imino-3-(4-methylbenzyl)-2,3-dihydro-1H-1,3-benzimidazol-1-yl]acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3260-0169
ethyl 2-[2-imino-3-(4-methylbenzyl)-2,3-dihydro-1H-1,3-benzimidazol-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

3260-0169

Molecular Formula

C19H21N3O2 (C19 H21 N3 O2)

Compound Name

ethyl 2-[2-imino-3-(4-methylbenzyl)-2,3-dihydro-1H-1,3-benzimidazol-1-yl]acetate

IUPAC name

ethyl 2-{2-imino-3-[(4-methylphenyl)methyl]-23-dihydro-1H-13-benzodiazol-1-yl}acetate

SMILES

CCOC(CN(c(cccc1)c1N1Cc2ccc(C)cc2)C1=N)=O

InChI

InChI=1S/C19H21N3O2/c1-3-24-18(23)13-22-17-7-5-4-6-16(17)21(19(22)20)12-15-10-8-14(2)9-11-15/h4-11,20H,3,12-13H2,1-2H3

InChI Key

FPKMDJDWKRSAPQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02087003

Chemical and Physical Properties

Saltdata

HBr

Molecular Weight

323.39

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.715

Distribution Coefficient, logD

3.092

Water Solubility, LogSw

-3.83

Polar Surface Area

42.013

Acid Dissociation Constant (pKa)

24.40

Base Dissociation Constant (pKb)

7.91

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.32

3260-0169 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with 3260-0169 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3260-0169?
Check Price and Availability of 3260-0169, 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 3260-0169 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3260-0169
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3260-0169
  • 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 3260-0169 available by request