2226-0415 Screening compound: methyl 2-{3-[(2-chlorophenyl)methyl]-2-imino-2,3-dihydro-1H-1,3-benzodiazol-1-yl}acetate

2226-0415 Screening compound: methyl 2-{3-[(2-chlorophenyl)methyl]-2-imino-2,3-dihydro-1H-1,3-benzodiazol-1-yl}acetate
2226-0415 Screening compound: methyl 2-{3-[(2-chlorophenyl)methyl]-2-imino-2,3-dihydro-1H-1,3-benzodiazol-1-yl}acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2226-0415
methyl 2-{3-[(2-chlorophenyl)methyl]-2-imino-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

2226-0415

Molecular Formula

C17H16ClN3O2 (C17 H16 ClN3 O2)

Compound Name

methyl 2-{3-[(2-chlorophenyl)methyl]-2-imino-2,3-dihydro-1H-1,3-benzodiazol-1-yl}acetate

IUPAC name

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

SMILES

COC(CN(c(cccc1)c1N1Cc(cccc2)c2Cl)C1=N)=O

InChI

InChI=1S/C17H16ClN3O2/c1-23-16(22)11-21-15-9-5-4-8-14(15)20(17(21)19)10-12-6-2-3-7-13(12)18/h2-9,19H,10-11H2,1H3

InChI Key

UBEPHULSBBHQPD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01816018

Chemical and Physical Properties

Saltdata

HBr

Molecular Weight

329.79

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.241

Distribution Coefficient, logD

2.811

Water Solubility, LogSw

-3.44

Polar Surface Area

42.433

Acid Dissociation Constant (pKa)

23.82

Base Dissociation Constant (pKb)

7.63

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.60

2226-0415 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Antiviral Library (67538 compounds)

BRD4 Targeted Library (4534 compounds)

CNS Targets (44014 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Hemic and lymphatic
  • Cardiovascular
  • Metabolic
  • Nervous system
Mechanism of action:
  • Epigenetic
Targets:
  • Others

References: we are preparing a list of scientific research reports with 2226-0415 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2226-0415?
Check Price and Availability of 2226-0415, 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 2226-0415 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2226-0415
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2226-0415
  • 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 2226-0415 available by request